SCHEMBL3600574

SCHEMBL3600574

COC(=O)c1ccc(CC(CCBr)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.51
LOXL2 Q9Y4K0 1/20 0.49
CYP4A11 Q02928 2/20 0.45
PPARG P37231 2/20 0.45
CYP4F2 P78329 1/20 0.44
TSHR P16473 1/20 0.43
CPA3 P15088 1/20 0.43
MAPT P10636 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL2490447 0.87 CYP4A11 (0.54) FOLH1LOXL2CYP4A11PPARGCYP4F2
SCHEMBL6000361 0.82 FOLH1 (0.54) FOLH1LOXL2CYP4A11PPARGCYP4F2
SCHEMBL9442211 0.81 FOLH1 (0.53) FOLH1LOXL2CYP4A11PPARGCYP4F2
SCHEMBL2293260 0.80 FOLH1 (0.52) FOLH1LOXL2CYP4A11PPARGCYP4F2
SCHEMBL5372603 0.80 LOXL2 (0.56) LOXL2CYP4A11CYP4F2TSHRMAPT
SCHEMBL27828327 0.80 LOXL2 (0.56) LOXL2CYP4A11CYP4F2TSHRMAPT
SCHEMBL3591346 0.79 CYP4A11 (0.49) LOXL2CYP4A11CYP4F2TSHRMAPT
SCHEMBL2692900 0.79 LDHA (0.62) LOXL2CYP4A11CYP4F2TSHRMAPT
SCHEMBL3484081 0.79 MMP2 (0.50) FOLH1LOXL2CYP4A11PPARGCYP4F2
SCHEMBL2160659 0.78 CYP4A11 (0.58) FOLH1LOXL2CYP4A11CYP4F2TSHR

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-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed
EP-1216223-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019778-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA FOLH1 704/4885LOXL2 3827/4885CYP4A11 716/4885

“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.