SCHEMBL650091

SCHEMBL650091

COc1cc(C=C2SC(=O)N(CCN3CCCCCC3)C2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 17/20 0.62
ESRRB O95718 1/20 0.62
ESR1 P03372 1/20 0.62
ESRRG P62508 1/20 0.62
ESR2 Q92731 1/20 0.62
VHL P40337 1/20 0.46
CYP3A4 P08684 2/20 0.46
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL648909 1.00 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648910 1.00 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL651256 1.00 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648125 0.99 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648126 0.99 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL649119 0.94 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL649120 0.94 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650136 0.93 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650137 0.93 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4405009 0.90 ESRRA (0.49) ESRRAESRRBESR1ESRRGESR2

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119669-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US claimed
EP-2132188-B1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-14 EP claimed
EP-2132188-A2 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica N.V. (BE) 2009-12-16 EP claimed
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US claimed
WO-2008109731-A2 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JASSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO claimed
US-6828029-B1 Biocompatibility, hemocompatibility; coatings, contact and intraocular lenses, blood contacting devices; phospholipid analogues BIOCOMPATIBLES UK LIMITED (GB) 2004-12-07 US claimed
JP-2004500458-A 2004-01-08 JP claimed
WO-2001057047-A1 ZWITTERIONIC GROUPS CONTAINING COMPOUNDS FROM MICHAEL-TYPE REACTIONS USEFUL AS MONOMERS AND MACROMERS BIOCOMPATIBLES UK LIMITED (GB) 2001-08-09 WO claimed
US-20220298389-A1 ADHESIVE COMPOSITIONS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2022-09-22 US disclosed
EP-3976121-A1 ADHESIVE COMPOSITIONS 3M Innovative Properties Company (US) 2022-04-06 EP disclosed
WO-2020240337-A1 ADHESIVE COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-12-03 WO disclosed
EP-2890415-B1 CHLORHEXIDINE GLUCONATE COMPOSITIONS, RESIN SYSTEMS AND ARTICLES 3M INNOVATIVE PROPERTIES CO (US) 2020-09-23 EP disclosed
US-20200030499-A1 CHLORHEXIDINE GLUCONATE COMPOSITIONS RESIN SYSTEMS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-01-30 US disclosed
US-10259928-B2 Silane group-containing polymer composition and coatings containing same OMNOVA SOLUTIONS INC. (US) 2019-04-16 US disclosed
EP-0669349-A1 Ampholytic polymers, polymeric microemulsions, methods of producing same, and use of same as flocculant CYTEC TECHNOLOGY CORP. (US) 1995-08-30 EP disclosed
EP-0180319-B1 WASHOUT RESISTANT COATING OR CAULKING COMPOSITIONS AND APPLICATIONS THEREOF ROHM AND HAAS COMPANY (US) 1989-03-15 EP disclosed
EP-0122788-B1 SELF-LEVELING POLISH COMPOSITIONS AND POLYMER COMPOSITIONS USEFUL THEREIN ROHM AND HAAS COMPANY (US) 1987-09-23 EP disclosed
EP-0206383-A1 Bismaleimide compositions DSM RESINS B.V. (NL) 1986-12-30 EP disclosed
EP-0180319-A1 Washout resistant coating or caulking compositions and applications thereof ROHM AND HAAS COMPANY (US) 1986-05-07 EP disclosed
EP-0122788-A2 Self-leveling polish compositions and polymer compositions useful therein ROHM AND HAAS COMPANY (US) 1984-10-24 EP 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-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG ESRRA 2/4885ESRRB 4/4885ESR1 7/4885

“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.