SCHEMBL12192433

SCHEMBL12192433

COC(=O)c1ccc(-c2ccccc2F)c(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 2/20 0.51
PDK2 Q15119 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
ATM Q13315 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
PYGL P06737 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL2313764 0.91 ALDH1A1 (0.46) ALDH1A1KMT2APDK2NPC1RAB9A
SCHEMBL12388479 0.85 PDK2 (0.50) ALDH1A1KMT2APDK2NPC1RAB9A
SCHEMBL30949650 0.85 CYP46A1 (0.55) ALDH1A1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL30876354 0.84 SLC6A3 (0.65) ALDH1A1KMT2APDK2NPC1RAB9A
SCHEMBL27324419 0.84 SLC6A3 (0.65) ALDH1A1KMT2APDK2NPC1RAB9A
SCHEMBL12193904 0.84 MAPT (0.46) ALDH1A1KMT2APDK2NPC1RAB9A
SCHEMBL29706660 0.84 GAA (0.50) ALDH1A1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL2313608 0.81 HPGD (0.51) ALDH1A1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL12192185 0.81 KDM4E (0.55) ALDH1A1KMT2ANPC1RAB9AKDM4E
SCHEMBL4941551 0.80 PTGS2 (0.48) ALDH1A1KMT2ANPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 1149/4885KMT2A 3040/4885PDK2 1210/4885
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS ALDH1A1 309/4885KMT2A 2883/4885PDK2 43/4885
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 ALDH1A1 1173/4885KMT2A 4216/4885PDK2 953/4885

“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.