SCHEMBL669001

SCHEMBL669001

CC(C)(C)NC(=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.37
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
EGFR P00533 1/20 0.34
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6859267 0.83 KDM4E (0.46) CYP2C9SMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL669242 0.80 POLB (0.35) CYP2C9SMN1; SMN2POLBALPLALPI
SCHEMBL6289243 0.79 EPHX1 (0.37) CYP2C9SMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL669976 0.78 CYP2C9 (0.35) CYP2C9SMN1; SMN2POLBALPLALPI
SCHEMBL668795 0.78 ALPL (0.34) CYP2C9SMN1; SMN2RAB9APOLBALPL
SCHEMBL18972850 0.78 EPHX1 (0.38) CYP2C9SMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL669240 0.77 ALPL (0.33) CYP2C9SMN1; SMN2ALPLALPIALPG
SCHEMBL29420093 0.77 KDM4C (0.45) KDM5BKDM4EALDH1A1TSHR
SCHEMBL11281186 0.75 EPHX1 (0.44) CYP2C9SMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL22366261 0.75 LMNA (0.39) CYP2C9SMN1; SMN2EPHX1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162039-B Synthesis method of visible light mediated butanediamide compound 河南师范大学 2025-02-07 CN disclosed
CN-119350116-A Method for synthesizing itaconic acid compound 南京工业大学 2025-01-24 CN disclosed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
CN-115385858-B Photocatalytic preparation method of 2-phenyl-2H-indazole-3-carboxamide compound 河南师范大学 2024-03-01 CN disclosed
CN-115403519-B Synthesis method of N-substituted isonicotinamide compound driven by visible light 河南师范大学 2024-03-01 CN disclosed
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 EP disclosed
CN-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 CN disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
CN-116162039-A Synthesis method of visible light mediated butanediamide compound 河南师范大学 2023-05-26 CN disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed
US-20020052513-A1 Oxamide IMPDH inhibitors HOFFMANN-LA ROCHE INC. 2002-05-02 US disclosed
EP-1127883-A2 Oxamides as IMPDH inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 EP disclosed
EP-0067463-B1 A PROCESS FOR THE PREPARATION OF ISOCYANATES AND/OR DERIVATIVES THEREOF SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-03-12 EP disclosed
US-4430262-A Preparation of isocyanates and/or derivatives thereof SHELL OIL COMPANY (US) 1984-02-07 US disclosed
EP-0067463-A1 A process for the preparation of isocyanates and/or derivatives thereof SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-12-22 EP 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 (4 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 KDM5B 2357/4885CYP2C9 34/4885SMN1; SMN2 4640/4885
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 KDM5B 646/4885CYP2C9 226/4885SMN1; SMN2 3375/4885
US-20020052513-A1 Oxamide IMPDH inhibitors IMPDH1, IMPDH2, IMPA1 KDM5B 2551/4885CYP2C9 429/4885SMN1; SMN2 2545/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 KDM5B 2126/4885CYP2C9 277/4885SMN1; SMN2 3769/4885

“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.