SCHEMBL3304089

SCHEMBL3304089

CCOC(=O)C1(NC(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)CC3)Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 9/20 0.43
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
ESR2 Q92731 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADORA1 P30542 1/20 0.38

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
SCHEMBL3309736 0.93 CXCR5 (0.43) CXCR5ESR2MAPK1NR1H2ADORA1
SCHEMBL3307212 0.88 CXCR5 (0.57) CXCR5
SCHEMBL20558294 0.81 ADORA1 (0.51) TMEM97SIGMAR1PRMT5WDR77ESR2
SCHEMBL30670170 0.81 ADORA1 (0.51) TMEM97SIGMAR1PRMT5WDR77ESR2
SCHEMBL3311063 0.81 CXCR5 (0.57) CXCR5MAPK1
SCHEMBL3309715 0.79 CXCR5 (0.69) CXCR5
SCHEMBL14868188 0.78 ESR2 (0.50) TMEM97SIGMAR1PRMT5WDR77ESR2
SCHEMBL29801280 0.76 ESR2 (0.54) TMEM97SIGMAR1PRMT5WDR77ESR2
SCHEMBL1570606 0.76 ESR2 (0.54) TMEM97SIGMAR1PRMT5WDR77ESR2
SCHEMBL19739032 0.75 ESR2 (0.51) TMEM97SIGMAR1PRMT5WDR77ESR2

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 7 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
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 1/4885TMEM97 489/4885SIGMAR1 745/4885

“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.