SCHEMBL2313719

SCHEMBL2313719

COC(=O)c1cc(C(=O)O)ccc1-c1cc(OC)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
ALDH1A1 P00352 1/20 0.44
STIM1 Q13586 2/20 0.43
ORAI1 Q96D31 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12192185 0.92 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2313208 0.91 KDM4E (0.54) KDM4EMEN1KMT2AGAALMNA
SCHEMBL2500109 0.86 RAB9A (0.44) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12220567 0.84 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30313770 0.84 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12192474 0.83 CPS1 (0.47) KDM4EMEN1KMT2AGAALMNA
SCHEMBL2313764 0.82 ALDH1A1 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL2497802 0.82 CA1 (0.45) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2312638 0.81 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29377072 0.81 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748462-B2 Spirocyclic GPR40 modulators AMGEN INC. (US) 2014-06-10 US disclosed
EP-2358656-B1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC (US) 2014-01-01 EP disclosed
EP-2358656-B1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC (US) 2014-01-01 EP disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
EP-2358656-A2 SPIROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2011-08-24 EP disclosed
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US 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
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 KDM4E 2559/4885CYP1A2 483/4885CYP2D6 507/4885

“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.