SCHEMBL3660011

SCHEMBL3660011

O=C(O)C[C@@H](c1cccc(O)c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.44
FFAR1 O14842 2/20 0.43
HIF1A Q16665 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
OPRK1 P41145 2/20 0.39
ADRB1 P08588 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38
DRD1 P21728 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3658761 1.00 KYNU (0.44) KYNUFFAR1HIF1ALMNAKDM4E
SCHEMBL29185565 0.84 HIF1A (0.47) KYNUHIF1ALMNAKDM4EOPRK1
SCHEMBL3053473 0.83 GABBR2 (0.48) FFAR1GABBR2GABBR1
SCHEMBL19817286 0.83 GABBR2 (0.48) FFAR1GABBR2GABBR1
SCHEMBL23125123 0.83 ACP3 (0.50) IDO1KMT2ASMN1; SMN2
SCHEMBL30185583 0.83 CTSA (0.47) FFAR1IDO1GABBR2GABBR1GAA
SCHEMBL1932025 0.83 CPN1 (0.49) FFAR1OPRK1TSHRCA1CA2
SCHEMBL29099531 0.83 CTSA (0.47) FFAR1IDO1GABBR2GABBR1GAA
SCHEMBL13882059 0.82 HIF1A (0.41) KYNUFFAR1HIF1ALMNAKDM4E
SCHEMBL2498782 0.82 HIF1A (0.41) KYNUFFAR1HIF1ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 KYNU 3024/4885FFAR1 18/4885HIF1A 1225/4885

“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.