SCHEMBL4839273

SCHEMBL4839273

O=C(O)[C@H](Cc1ccccc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
SRR Q9GZT4 2/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CPA1 P15085 3/20 0.43
CPA3 P15088 3/20 0.43
FOLH1 Q04609 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
KIF11 P52732 3/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4831433 1.00 CYP1A2 (0.48) CYP1A2NPSR1SRRALPIPKM
SCHEMBL4831186 0.91 SRR (0.51) NPSR1SRRCPA1KIF11PPARG
SCHEMBL4839032 0.89 KIF11 (0.51) CPA1KIF11PPARGPPARA
SCHEMBL4835109 0.86 PPARG (0.55) PPARGPPARA
SCHEMBL4841151 0.85 LDHA (0.55) KIF11PPARGPPARA
SCHEMBL4831115 0.84 KIF11 (0.49) CYP1A2CPA1KIF11SLC1A3SLC1A2
SCHEMBL4838957 0.83 KIF11 (0.44) KIF11PPARGPPARA
SCHEMBL4158244 0.81 KDM4E (0.50) NPSR1CPA1CPA3CPB1CPB2
SCHEMBL4454777 0.81 POLB (0.49) KIF11
SCHEMBL4839082 0.78 KIF11 (0.43) KIF11

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-7365091-B2 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX ENOBIA PHARMA (CA) 2008-04-29 US disclosed
US-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX ENOBIA PHARMA (CA) 2006-12-21 US disclosed
US-7105539-B2 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-09-12 US disclosed
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-06-22 US disclosed
EP-1572645-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX Enobia Pharma Inc. (CA) 2005-09-14 EP disclosed
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex BIOMEP INC. 2004-09-23 US disclosed
WO-2004050620-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX ENOBIA PHARMA (CA) 2004-06-17 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 (3 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-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX GLS, SUCNR1, PGD CYP1A2 1770/4885NPSR1 3259/4885SRR 376/4885
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, PGD CYP1A2 1550/4885NPSR1 3344/4885SRR 373/4885
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, GCDH CYP1A2 1488/4885NPSR1 3490/4885SRR 385/4885

“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.