SCHEMBL2139463

SCHEMBL2139463

COc1cncc(-c2ccc(C#N)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.62
CYP11B1 P15538 9/20 0.62
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
ALPL P05186 3/20 0.53
XDH P47989 1/20 0.51
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
CYP2C19 P33261 1/20 0.46
SCN9A Q15858 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45

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
SCHEMBL4185063 0.84 ALPL (0.52) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL21960161 0.82 CYP11B1 (0.73) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL5702666 0.80 CYP1A1 (0.74) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL15296276 0.79 CYP11B1 (0.64) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL31015047 0.78 GRM5 (0.50) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1501661 0.78 GRM5 (0.50) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL13230146 0.78 CYP11B1 (0.45) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL3419967 0.78 MAOA (0.56)
SCHEMBL91929 0.78 MAOA (0.56)
SCHEMBL1569892 0.77 CYP11B1 (0.57) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148407-B2 Compounds derived from 5-thioxylose and their use in therapeutics LABORATORIES FOURNIER S.A. (FR) 2012-04-03 US disclosed
US-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics INVENTIVA (FR) 2008-11-27 US disclosed
EP-1861411-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2007-12-05 EP disclosed
WO-2006100413-A9 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF FOURNIER LAB SA (FR) 2007-10-18 WO disclosed
WO-2006100413-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2006-09-28 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-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics TPMT, STS, TBXAS1 CYP11B2 222/4885CYP11B1 221/4885CYP1A2 270/4885

“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.