SCHEMBL9906375

SCHEMBL9906375

CC(C)C(=O)NCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
BCHE P06276 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10311712 0.83 PIK3CD (0.42) CYP2C19CYP2D6CYP2C9KMT2AERCC1
SCHEMBL14076743 0.82 SMN1; SMN2 (0.33) CYP2C19CYP2D6CYP2C9KMT2AERCC1
SCHEMBL15730422 0.81 CYP2D6 (0.34) CYP2C19CYP2D6CYP2C9KMT2AERCC1
SCHEMBL13209257 0.81 DPP4 (0.39) MMP1DPP4CPB2
SCHEMBL19364388 0.81 ADRB2 (0.35) CYP2C19CYP2D6CYP2C9KMT2AERCC1
SCHEMBL14442120 0.81 DPP4 (0.39) MMP1DPP4CPB2
SCHEMBL9004533 0.81 MMP1 (0.35) MMP1CYP2C19CYP2D6BCHEALDH1A1
SCHEMBL9004534 0.81 MMP1 (0.35) MMP1CYP2C19CYP2D6BCHEALDH1A1
SCHEMBL9343726 0.81 CYP2D6 (0.34) CYP2C19CYP2D6CYP2C9KMT2AERCC1
SCHEMBL9004535 0.81 MMP1 (0.35) MMP1CYP2C19CYP2D6BCHEALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230235082-A1 SITE-SPECIFIC ANTIBODY CONJUGATES AND THE METHODS FOR PREPARATION OF THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-07-27 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US disclosed
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 US disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 MMP1 1688/4885CYP2C19 475/4885CYP2D6 187/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MMP1 3720/4885CYP2C19 4875/4885CYP2D6 4827/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS MMP1 2529/4885CYP2C19 4848/4885CYP2D6 4817/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH MMP1 3065/4885CYP2C19 34/4885CYP2D6 100/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MMP1 3065/4885CYP2C19 34/4885CYP2D6 100/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 MMP1 4554/4885CYP2C19 1621/4885CYP2D6 2479/4885
US-20230235082-A1 SITE-SPECIFIC ANTIBODY CONJUGATES AND THE METHODS FOR PREPARATION OF THE SAME FUT5, FUT6, SIGLEC7 MMP1 4215/4885CYP2C19 4441/4885CYP2D6 3672/4885
US-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 MMP1 3360/4885CYP2C19 484/4885CYP2D6 429/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS MMP1 2529/4885CYP2C19 4848/4885CYP2D6 4817/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 MMP1 3360/4885CYP2C19 484/4885CYP2D6 429/4885
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY ITGA2B, ITGA2, ITGB2 MMP1 1454/4885CYP2C19 3142/4885CYP2D6 3827/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.