SCHEMBL3307188

SCHEMBL3307188

CCOC(=O)C1(NC(=O)c2ccc3sccc3c2)Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.43
WNT3A P56704 4/20 0.43
NAMPT P43490 1/20 0.40
CXCR5 P32302 5/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
LPAR1 Q92633 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
P2RY12 Q9H244 1/20 0.36
GPR132 Q9UNW8 1/20 0.36

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
SCHEMBL3306812 0.83 CXCR5 (0.49) CTNNB1WNT3ANAMPTCXCR5CHRNA7
SCHEMBL3306115 0.78 TACR2 (0.49) NAMPTCXCR5CHRNA7HTR3AHDAC8
SCHEMBL13981683 0.77 LPAR1 (0.38) CXCR5LPAR1DGAT2HDAC8GPR132
SCHEMBL3314496 0.74 GPR132 (0.43) CXCR5LPAR1DGAT2GPR132
SCHEMBL3308192 0.73 CXCR5 (0.47) CXCR5
SCHEMBL3307325 0.73 CXCR5 (0.40) CXCR5
SCHEMBL3307292 0.73 HDAC3 (0.47) CXCR5HDAC8
SCHEMBL2085275 0.71 CA12 (0.53) CTNNB1WNT3A
SCHEMBL3308338 0.71 CXCR5 (0.67) CXCR5
SCHEMBL3309921 0.71 F10 (0.41) CXCR5

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
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
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO 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 CTNNB1 2721/4885WNT3A 2411/4885NAMPT 2677/4885

“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.