SCHEMBL3304733

SCHEMBL3304733

CCOC(=O)C1(NC(=O)c2cccnc2OCC)Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
HPGD P15428 2/20 0.50
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
PKM P14618 1/20 0.45
CXCR5 P32302 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL3304497 0.89 L3MBTL1 (0.55) L3MBTL1LMNATSHRNPC1CXCR5
SCHEMBL3309895 0.87 CXCR5 (0.45) ALDH1A1SMN1; SMN2CXCR5
SCHEMBL3312186 0.87 CXCR5 (0.46) HTTCXCR5
SCHEMBL3307831 0.85 MEN1 (0.47) HPGDALDH1A1NPC1HTTCXCR5
SCHEMBL13328530 0.85 KMT2A (0.52) L3MBTL1HPGDALDH1A1TSHRNPC1
SCHEMBL3307341 0.83 CXCR5 (0.42) HTTCXCR5
SCHEMBL3341359 0.82 CXCR5 (0.41) HTTCXCR5
SCHEMBL3308178 0.82 CXCR5 (0.46) HPGDALDH1A1LMNAHTTCXCR5
SCHEMBL3309430 0.81 CXCR5 (0.44) HTTCXCR5
SCHEMBL3309425 0.81 CXCR5 (0.45) HTTCXCR5

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 L3MBTL1 4463/4885HPGD 1424/4885ALDH1A1 1892/4885

“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.