SCHEMBL6774417

SCHEMBL6774417

COC(=O)CSC/C=C/c1ccc(Cc2nc(-c3ccc4c(c3)OCO4)oc2C)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 7/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 3/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6774421 1.00 MAPK1 (0.49) MAPK1HPGDALDH1A1MAPTKMT2A
SCHEMBL6770258 0.91 POLB (0.44) MAPK1HPGDALDH1A1MAPTKMT2A
SCHEMBL6770263 0.91 POLB (0.44) MAPK1HPGDALDH1A1MAPTKMT2A
SCHEMBL6780459 0.86 SMN1; SMN2 (0.46) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6780462 0.86 SMN1; SMN2 (0.46) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6776165 0.84 KDM4E (0.45) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6776171 0.84 KDM4E (0.45) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6776403 0.84 MAPT (0.49) MAPK1HPGDALDH1A1MAPTKMT2A
SCHEMBL6776397 0.84 MAPT (0.49) MAPK1HPGDALDH1A1MAPTKMT2A
SCHEMBL6771328 0.83 HSD17B10 (0.41) HPGDALDH1A1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821994-B2 A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR REGULATOR, AN OXAZOL-4-YL-METHYLFURAN-2-YL-2-PROPENYLTHIO- OR SULFONYL- OR SULFINYL-ACETIC ACID OR METHYL ESTER ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-23 US claimed
US-20030225145-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-12-04 US claimed
EP-1122255-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-08-08 EP claimed
US-6821994-B2 A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR REGULATOR, AN OXAZOL-4-YL-METHYLFURAN-2-YL-2-PROPENYLTHIO- OR SULFONYL- OR SULFINYL-ACETIC ACID OR METHYL ESTER ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-23 US disclosed
US-20030225145-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-12-04 US disclosed
US-6589969-B1 A peroxisome proliferator activated receptor regulator containing a compound of formula (I) Because of having an effect of regulating PPAR, a compound of formula (I) is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive ONO PHARMACEUTICAL CO., LTD. (JP) 2003-07-08 US disclosed
EP-1122255-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-08-08 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 (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-20030225145-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD MAPK1 413/4885HPGD 608/4885ALDH1A1 340/4885

“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.