SCHEMBL3309946

SCHEMBL3309946

CCOC(=O)C1(NC(=O)c2cccc(C)c2I)Cc2c(F)ccc(F)c2C1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 20/20 0.54

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
SCHEMBL3312092 0.90 CXCR5 (0.58) CXCR5
SCHEMBL3310801 0.89 CXCR5 (0.60) CXCR5
SCHEMBL3304526 0.85 CXCR5 (0.57) CXCR5
SCHEMBL3308231 0.84 CXCR5 (0.62) CXCR5
SCHEMBL3309212 0.83 CXCR5 (0.76) CXCR5
SCHEMBL3310445 0.75 CXCR5 (0.78) CXCR5
SCHEMBL3310572 0.74 CXCR5 (0.52) CXCR5
SCHEMBL13981766 0.74 CXCR5 (0.39) CXCR5
SCHEMBL3308657 0.74 CXCR5 (0.64) CXCR5
SCHEMBL3305632 0.74 CXCR5 (0.57) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118091-B1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-04-15 EP disclosed
US-8937080-B2 Pyrimidine substituted macrocyclic HCV inhibitors MEDIVIR AB (SE) 2015-01-20 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-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 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
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
EP-2118091-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS Tibotec Pharmaceuticals (IE) 2009-11-18 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
WO-2008095999-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 US 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN CXCR5 1862/4885
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS NUDT1, PNP, SLC28A1 CXCR5 1540/4885
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 CXCR5 1/4885

“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.