SCHEMBL7087792

SCHEMBL7087792

Cc1csc(C(=O)C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.53
CES1 P23141 6/20 0.53
DAO P14920 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.40
KCNMA1 Q12791 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
P2RY14 Q15391 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL5859674 0.82 DAO (0.71) CES2CES1DAO
SCHEMBL8093355 0.80 CYP1A2 (0.42) CES2CES1DAOSMN1; SMN2P2RY14
SCHEMBL15679982 0.76 CES2 (0.76) CES2CES1SMN1; SMN2CA1CA2
SCHEMBL10968608 0.75 DAO (0.36) CES2CES1DAOSMN1; SMN2KCNMA1
SCHEMBL6643910 0.74 DAO (0.47) DAOSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL9634784 0.74 TCF4 (0.41) CES2CES1DAOSMN1; SMN2KCNMA1
SCHEMBL716295 0.73 CES2 (1.00) CES2CES1CA1CA2NPC1
SCHEMBL12551908 0.72 CES2 (0.70) CES2CES1DAOSMN1; SMN2CA1
SCHEMBL8094069 0.72 DAO (0.38) DAOSMN1; SMN2KCNMA1CYP1A2CYP2C19
SCHEMBL11409273 0.72 DAO (0.45) DAOSMN1; SMN2MEN1NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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 (1 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 CES2 984/4885CES1 374/4885DAO 352/4885

“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.