SCHEMBL5041945

SCHEMBL5041945

C=CCOC(=O)C(Cc1cccnc1)C(=O)OCC=C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.47
NAPRT Q6XQN6 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TBXAS1 P24557 3/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
BTN3A1 O00481 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL11235663 0.85 FDPS (0.43) FDPSNAPRTKDM4ETBXAS1CYP3A4
SCHEMBL14331820 0.82 CYP3A4 (0.51) CYP3A4CYP1A2ALDH1A1
SCHEMBL7345369 0.81 MMP8 (0.52) FDPSNAPRTKDM4ETBXAS1CYP3A4
SCHEMBL9280186 0.79 NAPRT (0.54) NAPRTKDM4ETBXAS1CYP3A4KMT2A
SCHEMBL11221097 0.77 TBXAS1 (0.49) NAPRTKDM4ETBXAS1CYP3A4LMNA
SCHEMBL5041959 0.77 KDM4E (0.43) FDPSNAPRTKDM4ETBXAS1KMT2A
SCHEMBL6885074 0.76 KDM4E (0.62) FDPSNAPRTKDM4ETBXAS1CYP3A4
SCHEMBL3949678 0.75 MMP8 (0.54) FDPSNAPRTKDM4ETBXAS1CYP3A4
SCHEMBL2429056 0.74 MMP8 (0.49) FDPSNAPRTKDM4ETBXAS1CYP3A4
SCHEMBL11594620 0.74 CYP19A1 (0.51) TBXAS1CYP3A4LMNA

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 11 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-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 FDPS 698/4885NAPRT 1601/4885KDM4E 1445/4885
US-20060100251-A1 Substituted phenylalkanoic acids PTPRJ, PTP4A1, PTPN1 FDPS 792/4885NAPRT 1545/4885KDM4E 1607/4885

“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.