SCHEMBL5188682

SCHEMBL5188682

[c]1nccc(-c2cccc3ccccc23)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 7/20 0.43
MAPT P10636 7/20 0.43
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPK1 P28482 3/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TNF P01375 1/20 0.42
RAB9A P51151 3/20 0.38
NISCH Q9Y2I1 1/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL435001 0.79 LRRK2 (0.39) ALDH1A1HPGDHSD17B10MAPK1TNF
SCHEMBL435161 0.77 RAB9A (0.39) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL7668307 0.76 ENPP1 (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL668822 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
Biphenyl SCHEMBL1073325 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
Biphenyl SCHEMBL28372188 0.72 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4724144 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL25668518 0.72 MAPT (0.59) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL25668514 0.72 MAPT (0.59) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
Benzene SCHEMBL28202246 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633354-A2 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-03-15 EP claimed
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 US claimed
WO-2004092146-A2 N- (((((1,3-THIAZOL-2-YL) AMINO) CARBONYL) PHENYL) SULFONYL) PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-10-28 WO claimed
EP-1805136-A1 SUBSTITUTED PHENYLALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP disclosed
WO-2006050097-A1 SUBSTITUTED PHENYLALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-11 WO disclosed
US-20060100251-A1 Substituted phenylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-05-11 US disclosed
EP-1633354-A2 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-03-15 EP disclosed
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 US disclosed
WO-2004092146-A2 N- (((((1,3-THIAZOL-2-YL) AMINO) CARBONYL) PHENYL) SULFONYL) PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-10-28 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 (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-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes PTP4A1, PTPRJ, PPM1B ALDH1A1 123/4885KDM4E 1445/4885MAPT 1488/4885
US-20060100251-A1 Substituted phenylalkanoic acids PTPRJ, PTP4A1, PTPN1 ALDH1A1 211/4885KDM4E 1607/4885MAPT 1290/4885

“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.