SCHEMBL5041959

SCHEMBL5041959

C=CCC(C=C)OC(=O)C(Cc1cccnc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TBXAS1 P24557 10/20 0.41
NAPRT Q6XQN6 1/20 0.41
FDPS P14324 2/20 0.41
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.37
CHRM1 P11229 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
SCHEMBL6885074 0.77 KDM4E (0.62) KDM4ETBXAS1NAPRTFDPSLMNA
SCHEMBL5041945 0.77 FDPS (0.47) KDM4ETBXAS1NAPRTFDPSLMNA
SCHEMBL4477889 0.76 TBXAS1 (0.52) KDM4ETBXAS1NAPRTFDPSLMNA
SCHEMBL5037275 0.75 PPARA (0.46) KMT2AUSP2
SCHEMBL3949678 0.75 MMP8 (0.54) KDM4ETBXAS1NAPRTFDPSLMNA
SCHEMBL27041606 0.74 KDM4E (0.53) KDM4ETBXAS1NAPRTFDPSLMNA
SCHEMBL27041597 0.74 KDM4E (0.53) KDM4ETBXAS1NAPRTFDPSLMNA
SCHEMBL2565141 0.71 TBXAS1 (0.56) KDM4ETBXAS1NAPRTFDPSLMNA
SCHEMBL6428052 0.71 FDPS (0.49) KDM4ETBXAS1NAPRTFDPS
SCHEMBL7384333 0.69 CYP1A2 (0.62) KDM4ETBXAS1NAPRTFDPSLMNA

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-1805136-A1 SUBSTITUTED PHENYLALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP claimed
WO-2006050097-A1 SUBSTITUTED PHENYLALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-11 WO claimed
US-20060100251-A1 Substituted phenylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-05-11 US claimed
EP-1633354-B1 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES INST FOR PHARM DISCOVERY INC (US) 2008-01-23 EP disclosed
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 KDM4E 1445/4885TBXAS1 2513/4885NAPRT 1601/4885
US-20060100251-A1 Substituted phenylalkanoic acids PTPRJ, PTP4A1, PTPN1 KDM4E 1607/4885TBXAS1 2879/4885NAPRT 1545/4885

“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.