SCHEMBL3306602

SCHEMBL3306602

Cc1cccc(C(=O)O)c1OC1CCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 4/20 0.59
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MYC P01106 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
AKR1B10 O60218 1/20 0.39
TRPA1 O75762 1/20 0.39
ABCB11 O95342 1/20 0.39

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
SCHEMBL3465394 0.95 CXCR5 (0.55) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3309536 0.91 CXCR5 (0.52) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13328396 0.85 CXCR5 (0.57) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30159752 0.81 MMP2 (0.46) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20563741 0.81 ALB (0.46) CXCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL29050940 0.81 CXCR5 (0.53) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21939451 0.79 CXCR5 (0.41) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30159711 0.79 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL3633675 0.78 OPRK1 (0.47) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12760784 0.78 ALDH1A1 (0.43) CXCR5ALDH1A1KDM4EHPGDHSD17B10

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 CXCR5 1/4885ALDH1A1 1892/4885KDM4E 2918/4885

“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.