SCHEMBL3990785

SCHEMBL3990785

CCCCc1ccc2c(C(=O)OCC)c(NC(C)=O)sc2c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.69
▸ MEN1 O00255 8/20 0.69
▸ MAPT P10636 6/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ TSHR P16473 4/20 0.67
▸ RECQL P46063 1/20 0.67
▸ LMNA P02545 1/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ KDM4E B2RXH2 3/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ SLC2A1 P11166 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ POLB P06746 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ MITF O75030 1/20 0.47

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
SCHEMBL13886690 0.83 MAPT (0.59) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL3984848 0.82 MAPT (0.67) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL31459864 0.82 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL15172955 0.82 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL31459976 0.82 MAPT (0.75) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL3982203 0.79 MAPT (0.64) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL31459968 0.77 MAPT (1.00) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL2921771 0.77 MAPT (1.00) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL16521105 0.75 MAPT (0.78) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL16312402 0.74 MAPT (0.57) KMT2AMEN1MAPTSMN1; SMN2TSHR

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
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
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 KMT2A 2945/4885MEN1 2028/4885MAPT 1642/4885

“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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