SCHEMBL3304544

SCHEMBL3304544

CCOC(=O)C1(N)Cc2cccc(Cl)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
OPRM1 P35372 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ADRA1A P35348 2/20 0.37
OPRK1 P41145 2/20 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
SCHEMBL3501478 0.85 BRD4 (0.41) BRD4ALDH1A1MEN1KMT2AOPRM1
SCHEMBL23857218 0.85 HDAC11 (0.36) ALDH1A1L3MBTL1KDM4EMAPK1HSD17B10
SCHEMBL3308197 0.84 OPRM1 (0.40) BRD4ALDH1A1MEN1KMT2AOPRM1
SCHEMBL13328493 0.84 BRD4 (0.40) BRD4NLRP3ALDH1A1KMT2AOPRM1
SCHEMBL3306445 0.82 BRD4 (0.51) BRD4ALDH1A1MEN1KMT2AOPRM1
SCHEMBL30801469 0.82 BRD4 (0.51) BRD4ALDH1A1MEN1KMT2AOPRM1
SCHEMBL13328476 0.80 OPRM1 (0.45) BRD4MEN1KMT2AOPRM1SMN1; SMN2
Hydrochloric Acid SCHEMBL4835381 0.79 OPRM1 (0.47) BRD4MEN1KMT2AOPRM1SMN1; SMN2
SCHEMBL23857362 0.78 GRM2 (0.41) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL30253333 0.78 GRM2 (0.41) ALDH1A1MEN1KMT2AKDM4ECYP1A2

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-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

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 BRD4 704/4885NLRP3 440/4885ALDH1A1 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.