SCHEMBL5559079

SCHEMBL5559079

CC(=O)C(Br)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALOX5 P09917 1/20 0.44
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 1/20 0.40
CNR1 P21554 1/20 0.40
POLB P06746 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 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
SCHEMBL5463742 0.82 CYP2C9 (0.44) CES2CES1ALDH1A1SMN1; SMN2NPC1
SCHEMBL16601483 0.82 ESR1 (0.50) CYP1A2CES2CES1ALDH1A1MAPT
SCHEMBL330957 0.80 HDAC3 (0.44) CES2CES1ALDH1A1SMN1; SMN2POLB
SCHEMBL622334 0.80 BRD4 (0.59) CYP1A2CES2CES1CYP2C19CNR1
SCHEMBL23727587 0.79 CES2 (0.67) CES2CES1ALDH1A1
SCHEMBL4146178 0.79 CYP1A2 (0.57) CYP1A2ALOX5CES2CES1SMN1; SMN2
SCHEMBL2573939 0.79 CES2 (0.67) CES2CES1ALDH1A1
SCHEMBL7474306 0.79 CES2 (0.54) CYP1A2ALOX5CES2CES1ALDH1A1
SCHEMBL12280124 0.77 CYP1A2 (0.55) CYP1A2ALOX5CES2CES1ALDH1A1
SCHEMBL5778110 0.77 CYP1A2 (0.55) CYP1A2ALOX5CES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744333-B1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-10-05 EP disclosed
US-9084794-B2 Fatty acid synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2015-07-21 US disclosed
US-20140194415-A1 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property (No2) Limite (GB) 2014-07-10 US disclosed
EP-2744333-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-06-25 EP disclosed
WO-2013028447-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed
EP-1708699-A4 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- K .B ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2007-11-28 EP disclosed
EP-1708699-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- K .B ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-10-11 EP disclosed
WO-2005072729-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 WO disclosed
EP-1432700-A4 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-22 EP disclosed
EP-1432700-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2004-06-30 EP disclosed
WO-2003029245-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-10 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-20140194415-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS2, FADS1 CYP1A2 288/4885ALOX5 54/4885CES2 384/4885

“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.