Sugi Predict

Sugi Predict / Compounds / SCHEMBL3137327

SCHEMBL3137327

SCHEMBL3137327

Nc1ccc(-c2cscc2C(F)(F)F)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ BRD4 O60885 1/20 0.40
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ HSD17B1 P14061 3/20 0.34
▸ HSD17B2 P37059 3/20 0.34
▸ POLB P06746 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MPL P40238 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL7459304 0.79 ALOX15 (0.53) CYP3A4ALOX15HSD17B10BRD4PGR
SCHEMBL5844871 0.78 BACE1 (0.52) CYP3A4ALOX15HSD17B10PGRAR
SCHEMBL3138809 0.76 CYP3A4 (0.53) CYP3A4ALOX15HSD17B10BRD4ESR1
SCHEMBL3137577 0.76 CYP3A4 (0.53) CYP3A4ALOX15HSD17B10BRD4ESR1
SCHEMBL7464743 0.72 ALOX15 (0.59) CYP3A4ALOX15HSD17B10BRD4PGR
SCHEMBL3141959 0.72 CYP3A4 (0.48) CYP3A4ALOX15HSD17B10BRD4ESR1
SCHEMBL3133567 0.72 CYP3A4 (0.48) CYP3A4ALOX15HSD17B10BRD4ESR1
SCHEMBL3139052 0.72 ALOX15 (0.48) CYP3A4ALOX15HSD17B10BRD4PGR
SCHEMBL3132485 0.72 CYP3A4 (0.48) CYP3A4ALOX15HSD17B10BRD4PGR
SCHEMBL23137330 0.71 ALOX15 (0.76) CYP3A4ALOX15HSD17B10BRD4ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2008-10-02 — — US claimed
CN-1997637-A Novel o-aminophenol derivatives and colorants containing said compounds WELLA AG (DE) 2007-07-11 — — CN claimed
US-7641702-B2 O-Aminophenol derivatives and colorants containing said compounds WELLA AG (DE) 2010-01-05 — — US disclosed
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2008-10-02 — — US disclosed
CN-1997637-A Novel o-aminophenol derivatives and colorants containing said compounds WELLA AG (DE) 2007-07-11 — — CN disclosed
EP-1768971-A1 NOVEL O-AMINOPHENOL DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2007-04-04 — — EP disclosed
WO-2006007896-A1 NOVEL O-AMINOPHENOL DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-01-26 — — 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-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds CBR3, KRT18, F12 CYP3A4 526/4885ALOX15 3757/4885HSD17B10 2013/4885

“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.