SCHEMBL3306812

SCHEMBL3306812

O=C(NC1(C(=O)O)Cc2ccccc2C1)c1ccc2sccc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 9/20 0.49
CTNNB1 P35222 2/20 0.49
WNT3A P56704 2/20 0.49
NAMPT P43490 1/20 0.46
GPR132 Q9UNW8 1/20 0.44
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
LPAR1 Q92633 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
PYGL P06737 1/20 0.41
CYP2C9 P11712 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
SCHEMBL3307188 0.83 CTNNB1 (0.43) CXCR5CTNNB1WNT3ANAMPTGPR132
SCHEMBL1560542 0.77 CXCR5 (0.61) CXCR5GPR132
SCHEMBL3210826 0.74 CXCR5 (0.56) CXCR5GPR132NPC1RAB9A
SCHEMBL13455706 0.74 CXCR5 (0.47) CXCR5GPR132LPAR1
SCHEMBL18873910 0.74 CXCR5 (0.59) CXCR5GPR132LPAR1PYGLCYP2C9
SCHEMBL3304077 0.73 HDAC1 (0.56) CXCR5CHRNA7HTR3ARAB9APYGL
SCHEMBL13201004 0.73 NAMPT (0.71) CTNNB1WNT3ANAMPTNPC1GAA
SCHEMBL3218373 0.72 CXCR5 (0.53) CXCR5GPR132PYGLCYP2C9
SCHEMBL774222 0.72 CXCR5 (0.45) CXCR5GPR132LPAR1CYP2C9
SCHEMBL3220332 0.71 ERAP1 (0.45) CXCR5GPR132LPAR1NPC1RAB9A

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
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 CN disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 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 (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-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 CXCR5 1/4885CTNNB1 2721/4885WNT3A 2411/4885

“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.