SCHEMBL3606718

SCHEMBL3606718

Cc1cc(Br)c(Cl)cc1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.44
THRA P10827 6/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 4/20 0.40
ALOX15 P16050 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
CLIC1 O00299 1/20 0.38
CXCL8 P10145 1/20 0.38
CLCN2 P51788 1/20 0.38
RXRG P48443 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL2351646 0.93 THRB (0.40) THRBTHRANPSR1PTGS2ALOX15
SCHEMBL23286929 0.83 NPSR1 (0.48) THRBTHRANPSR1PTGS2ALOX15
SCHEMBL29605526 0.83 NPSR1 (0.48) THRBTHRANPSR1PTGS2ALOX15
SCHEMBL11199538 0.83 NPSR1 (0.44) NPSR1PTGS2ALOX15RXRARXRB
SCHEMBL11076027 0.79 THRB (0.40) THRBTHRAPTGS2CXCL8
SCHEMBL14432233 0.79 NPSR1 (0.48) NPSR1PTGS2ALOX15RXRARXRB
SCHEMBL14710246 0.79 AHR (0.37) THRBHPGDTSHR
SCHEMBL22701184 0.79 THRB (0.37) THRBTHRACXCL8HPGDTSHR
SCHEMBL30028576 0.79 THRB (0.40) THRBTHRANPSR1PTGS2ALOX15
SCHEMBL23490846 0.79 KDM1A (0.41) THRBTHRANPSR1PTGS2ALOX15

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
US-20100105673-A1 SUBSTITUTED AMINOFURANONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 US disclosed
US-20100105673-A1 SUBSTITUTED AMINOFURANONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 US disclosed
US-20100105673-A1 SUBSTITUTED AMINOFURANONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 US disclosed
US-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2010-01-28 US disclosed
EP-2102180-A1 SUBSTITUTED AMINOFURANONES AND THEIR USE Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-23 EP disclosed
EP-2054053-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISORDERS AiCuris GmbH & Co. KG (DE) 2009-05-06 EP disclosed
WO-2008071359-A1 SUBSTITUTED AMINOFURANONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
WO-2008071359-A1 SUBSTITUTED AMINOFURANONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
WO-2008022725-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISORDERS AICURIS GMBH & CO. KG (DE) 2008-02-28 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 (2 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-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES DHFR, RORA, CYP2A6 THRB 245/4885THRA 190/4885NPSR1 1530/4885
US-20100105673-A1 SUBSTITUTED AMINOFURANONES AND THEIR USE FANCF, TPMT, AAAS THRB 3723/4885THRA 3791/4885NPSR1 4472/4885

“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.