SCHEMBL2297743

SCHEMBL2297743

O=Cc1cc(Br)cc(F)c1OCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.56
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 3/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.41
AKR1B1 P15121 3/20 0.39
PTPN1 P18031 1/20 0.38
ERN1 O75460 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
AKR1A1 P14550 1/20 0.36

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
SCHEMBL5883701 0.84 PTGDR2 (0.59) PTGDR2ALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL22216884 0.80 LMNA (0.47) PTGDR2ALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL5882295 0.79 ALDH1A1 (0.72) PTGDR2ALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL31327406 0.78 ALDH1A1 (0.37) PTGDR2ALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL4055189 0.77 GAA (0.51) PTPN1ERN1
SCHEMBL23111641 0.75 PTGDR2 (0.57) PTGDR2ALDH1A1TSHRPOLBTDP1
SCHEMBL14059589 0.75 ALDH1A1 (0.35) PTGDR2ALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL30673247 0.74 ERN1 (0.50) ALDH1A1CYP1A2CYP2C19TSHRTDP1
SCHEMBL4599553 0.74 ERN1 (0.50) ALDH1A1CYP1A2CYP2C19TSHRTDP1
SCHEMBL29951244 0.73 ERN1 (0.50) PTGDR2ALDH1A1CYP1A2CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340529-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2016-05-17 US disclosed
US-8802864-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
EP-2538787-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-01-02 EP disclosed
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-12-13 US disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 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-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 PTGDR2 1840/4885ALDH1A1 629/4885CYP1A2 388/4885
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 PTGDR2 1306/4885ALDH1A1 410/4885CYP1A2 233/4885

“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.