SCHEMBL4080225

SCHEMBL4080225

COCc1cccc(CC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
FFAR1 O14842 1/20 0.51
RXRB P28702 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 3/20 0.49
TSHR P16473 2/20 0.49
NFKB1 P19838 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PTGS1 P23219 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SLC22A12 Q96S37 1/20 0.48
SLC7A5 Q01650 1/20 0.45
ENPP2 Q13822 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RGS12 O14924 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6600049 0.85 SLC7A5 (0.45) FFAR1NFKB1ALDH1A1SLC7A5KDM4E
SCHEMBL70565 0.84 AKR1B1 (0.71) AKR1B1RXRBCYP1A2CYP2C19GAA
SCHEMBL26690016 0.84 SLC7A5 (0.59) FFAR1GAATSHRNFKB1ALDH1A1
SCHEMBL27583692 0.84 FFAR1 (0.43) FFAR1NFKB1ALDH1A1SLC7A5KDM4E
SCHEMBL453835 0.84 PTGS1 (0.70) AKR1B1FFAR1GAATSHRNFKB1
SCHEMBL11121659 0.82 ALDH1A1 (0.65) AKR1B1RXRBCYP1A2CYP2C19GAA
Hydrochloric Acid SCHEMBL8922940 0.82 AKR1B1 (0.68) AKR1B1RXRBCYP1A2CYP2C19GAA
SCHEMBL487468 0.82 IDO1 (0.48) FFAR1
SCHEMBL1560308 0.81 SLC7A5 (0.65) AKR1B1CYP1A2CYP2C19GAATSHR
SCHEMBL3313524 0.80 CA2 (0.61) AKR1B1FFAR1RXRBGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US disclosed
EP-1097922-B1 5-THIA-OMEGA-SUBSTITUTED PHENYL-PROSTAGLANDIN E DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-03-16 EP disclosed
US-6462081-B1 SUCH AS A 9-OXO-11,15-DIHYDROXY-16-(3-METHOXYMETHYLPHENYL)-17,18,19,20-TETRANOR-5 -THIAPROST-13-ENOIC ACID; PROSTAGLANDIN E2 RECEPTOR BINDERS; AMYOTROPHIC LATERAL SCLEROSIS, LUPUS, MULTIPLE SCLEROSIS, SJOEGREN'S SYNDROME, RHEUMARTHROSIS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-10-08 US disclosed
CN-1312796-A 5-thia-omega-substituted phenyl-prostaglandin E derivatives, process for producing same and drugs containing same as active ingredient ONO PHARMACEUTICAL CO (JP) 2001-09-12 CN disclosed
EP-1097922-A1 5-THIA-OMEGA-SUBSTITUTED PHENYL-PROSTAGLANDIN E DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A AKR1B1 76/4885FFAR1 472/4885RXRB 1037/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 AKR1B1 585/4885FFAR1 2094/4885RXRB 999/4885

“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.