SCHEMBL11527770

SCHEMBL11527770

CCC(C)NC(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
EPHX1 P07099 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 2/20 0.40
ACACB O00763 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL19699515 1.00 MMP1 (0.52) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL13912226 1.00 MMP1 (0.52) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL19736325 0.82 CNR1 (0.39) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL27118233 0.82 USP2 (0.52) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL2309969 0.82 MMP1 (0.50) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL8224748 0.82 MMP1 (0.50) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL9966033 0.82 MMP1 (0.50) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL22387540 0.81 ACACB (0.37) MMP1MMP2MMP3SMN1; SMN2ALDH1A1
SCHEMBL13374576 0.80 MMP1 (0.48) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL19062100 0.80 DPP4 (0.50) MMP1MMP2MMP3SMN1; SMN2PKM

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 31 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-20230338375-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-10-26 US disclosed
WO-2023192961-A2 LIGAND-PAYLOAD CONJUGATES PYXIS ONCOLOGY, INC. (US) 2023-10-05 WO disclosed
EP-4234565-A2 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2023-08-30 EP disclosed
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Sanford Burnham Prebys Medical Discovery Institute 2023-05-04 US disclosed
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Sanford Burnham Prebys Medical Discovery Institute 2023-05-04 US disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed
US-20210308269-A1 Small Molecule Drug Conjugates EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2021-10-07 US disclosed
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-01-08 US disclosed
US-20150005278-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-01 US disclosed
WO-2013187971-A2 MACROCYCLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-12-19 WO disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-4143047-A 2-SULFINYL AND 2-SULFONYL OXAZOLES LILLY INDUSTRIES LIMITED (GB) 1979-03-06 US 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 (9 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MMP1 3720/4885MMP2 2960/4885MMP3 4140/4885
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME ULK2, ULK1, ULK3 MMP1 4767/4885MMP2 4088/4885MMP3 4127/4885
US-20230338375-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, MUSK, SMN1; SMN2 MMP1 223/4885MMP2 968/4885MMP3 1458/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 MMP1 393/4885MMP2 613/4885MMP3 696/4885
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK2 MMP1 4795/4885MMP2 4384/4885MMP3 4556/4885
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 MMP1 4423/4885MMP2 3801/4885MMP3 2740/4885
US-20150005278-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS NEK5, SIK2, PDXK MMP1 4724/4885MMP2 4642/4885MMP3 4020/4885
US-20210308269-A1 Small Molecule Drug Conjugates CA9, CA12, CA2 MMP1 2221/4885MMP2 332/4885MMP3 1177/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR MMP1 3658/4885MMP2 2811/4885MMP3 1901/4885

“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.