SCHEMBL13360618

SCHEMBL13360618

CCOC(=O)C1(N)Cc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.41
CXCR5 P32302 3/20 0.41
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
TDP2 O95551 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4520334 0.88 CXCR5 (0.43) DPP7CXCR5GAAPOLBTDP2
SCHEMBL4795018 0.86 CXCR5 (0.42) DPP7CXCR5GAAPOLBTDP2
SCHEMBL4795023 0.86 CXCR5 (0.42) DPP7CXCR5GAAPOLBTDP2
SCHEMBL3305558 0.82 OPRM1 (0.44) DPP7CXCR5NPSR1CYP1A2CYP2C9
SCHEMBL18664545 0.82 OPRM1 (0.42) DPP7GAAALDH1A1CYP1A2CYP2C9
SCHEMBL30663973 0.80 TDP2 (0.40) DPP7TDP2ALDH1A1L3MBTL1NPSR1
SCHEMBL3310487 0.80 TDP2 (0.40) DPP7TDP2ALDH1A1L3MBTL1NPSR1
SCHEMBL13328485 0.80 MEN1 (0.46) GAAMEN1MAPTKMT2AHPGD
SCHEMBL3311022 0.79 OPRM1 (0.39) CXCR5POLBMEN1KMT2ASMN1; SMN2
SCHEMBL27960231 0.79 CXCR5 (0.47) DPP7CXCR5TDP2ALDH1A1MEN1

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 4 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-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 DPP7 1619/4885CXCR5 1/4885GAA 4586/4885

“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.