SCHEMBL3301352

SCHEMBL3301352

CCN(C)c1nc(C)cc(C)c1C(=O)NC1(C(=O)O)Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 19/20 0.48
PYGL P06737 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL3307233 0.89 CXCR5 (0.41) CXCR5PYGLCYP2C9
SCHEMBL27775147 0.81 SMN1; SMN2 (0.49) CXCR5PYGLCYP2C9
SCHEMBL3309737 0.75 CXCR5 (0.53) CXCR5
SCHEMBL3309992 0.72 CXCR5 (0.44) CXCR5
SCHEMBL3307276 0.68 CXCR5 (0.57) CXCR5
SCHEMBL10720970 0.68 CXCR5 (0.53) CXCR5
SCHEMBL3308436 0.66 PYGL (0.59) CXCR5PYGLCYP2C9
SCHEMBL28785337 0.66 CXCR5 (0.72) CXCR5
SCHEMBL3307341 0.66 CXCR5 (0.42) CXCR5
SCHEMBL1560542 0.66 CXCR5 (0.61) 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
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 1/4885PYGL 4377/4885CYP2C9 1961/4885

“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.