SCHEMBL3988992

SCHEMBL3988992

CCOC(=O)c1c(NC(C)=O)sc2c(O)cc(Cc3ccccc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.67
▸ LMNA P02545 1/20 0.67
▸ ALOX12 P18054 1/20 0.67
▸ MEN1 O00255 7/20 0.56
▸ KMT2A Q03164 7/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ALDH1A1 P00352 7/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HK1 P19367 1/20 0.51
▸ HKDC1 Q2TB90 1/20 0.51
▸ TSHR P16473 3/20 0.48
▸ RECQL P46063 1/20 0.48
▸ RAD52 P43351 1/20 0.48
▸ SLC2A1 P11166 1/20 0.46

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
SCHEMBL13869878 0.88 MAPT (0.49) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL3986612 0.84 MAPT (0.52) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL3982203 0.83 MAPT (0.64) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL13886692 0.82 MAPT (0.60) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL31459968 0.81 MAPT (1.00) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL2921771 0.81 MAPT (1.00) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL5165684 0.74 MAPT (0.67) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL16521105 0.74 MAPT (0.78) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL15172955 0.72 KMT2A (1.00) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL4298608 0.72 KDM4E (1.00) MAPTLMNAALOX12MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828197-B1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARM GMBH (DE) 2009-05-13 — — EP disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 — — US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 — — US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 — — US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 — — US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 — — US disclosed
EP-1828197-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE Solvay Pharmaceuticals GmbH (DE) 2007-09-05 — — EP disclosed
WO-2006063615-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17β-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARMACEUTICALS GMBH (DE) 2006-06-22 — — WO disclosed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 — — 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 (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-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 MAPT 1642/4885LMNA 4510/4885ALOX12 1012/4885

“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.

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