SCHEMBL3984848

SCHEMBL3984848

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.67
▸ MEN1 O00255 5/20 0.67
▸ KMT2A Q03164 5/20 0.67
▸ GAA P10253 4/20 0.67
▸ ALOX15 P16050 3/20 0.67
▸ TSHR P16473 3/20 0.67
▸ USP2 O75604 1/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.55
▸ MAPK1 P28482 2/20 0.51
▸ ALDH1A1 P00352 7/20 0.48
▸ HPGD P15428 5/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ RECQL P46063 1/20 0.45
▸ FHIT P49789 1/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GRM6 O15303 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3990785 0.82 KMT2A (0.69) MAPTMEN1KMT2AGAAALOX15
SCHEMBL3990578 0.81 MAPT (0.64) MAPTMEN1KMT2AGAAALOX15
SCHEMBL13848534 0.81 MAPT (0.48) MAPTMEN1KMT2AGAAALOX15
SCHEMBL31459922 0.80 MAPT (0.73) MAPTMEN1KMT2AGAAALOX15
SCHEMBL31460309 0.80 MAPT (1.00) MAPTMEN1KMT2AGAAALOX15
SCHEMBL3990334 0.76 MAPT (0.51) MAPTMEN1KMT2AGAAALOX15
SCHEMBL13848533 0.75 MAPT (0.49) MAPTMEN1KMT2AGAAALOX15
SCHEMBL2925906 0.75 TSHR (0.67) MAPTMEN1KMT2AGAAALOX15
SCHEMBL24671856 0.72 ALDH1A1 (0.68) MAPTMEN1KMT2AGAAALOX15
SCHEMBL13886791 0.72 MAPT (0.49) MAPTMEN1KMT2AGAAALOX15

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

“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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