SCHEMBL1093294

SCHEMBL1093294

CC(C)(C)OC(=O)NC(CCNc1ncc(Br)cc1N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.43
CTSK P43235 3/20 0.40
CTSS P25774 2/20 0.40
CTSB P07858 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ACE P12821 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
P2RY2 P41231 1/20 0.37
IDO1 P14902 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL1092885 0.92 P2RY2 (0.44) AAK1CTSKCTSSCTSBALDH1A1
SCHEMBL1094206 0.84 PPARA (0.40) AAK1CTSKCTSSCTSBITGB3
SCHEMBL1094204 0.84 PPARA (0.40) AAK1CTSKCTSSCTSBITGB3
SCHEMBL30250566 0.80 AAK1 (0.45) AAK1CTSKCTSSCTSBITGB3
SCHEMBL15964910 0.77 PTPN1 (0.41) AAK1CTSKCTSSITGB3ITGA2B
SCHEMBL23532047 0.77 AAK1 (0.46) AAK1CTSKCTSSCTSBITGB3
SCHEMBL23532045 0.77 AAK1 (0.46) AAK1CTSKCTSSCTSBITGB3
SCHEMBL29958537 0.77 AAK1 (0.46) AAK1CTSKCTSSCTSBITGB3
SCHEMBL1093692 0.76 P2RY2 (0.42) AAK1CTSKCTSSCTSBALDH1A1
SCHEMBL5096612 0.76 AAK1 (0.40) AAK1

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
EP-2185558-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF SAME SANOFI SA (FR) 2014-06-18 EP disclosed
US-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
EP-2185558-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009050348-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF SAME SANOFIS-AVENTIS (FR) 2009-04-23 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 (2 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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 AAK1 4624/4885CTSK 435/4885CTSS 142/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 AAK1 4624/4885CTSK 435/4885CTSS 142/4885

“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.