SCHEMBL16787409

SCHEMBL16787409

Cc1cccc(CC(C=O)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.48
JAK2 O60674 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.47
CTSS P25774 5/20 0.46
CTSB P07858 4/20 0.46
CTSL P07711 3/20 0.45
S1PR4 O95977 1/20 0.45
F2 P00734 1/20 0.45
TP53 P04637 1/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACE P12821 1/20 0.44

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
SCHEMBL3475024 0.87 CTSK (0.55) CTSKATMCTSSCTSBCTSL
SCHEMBL2825910 0.86 CTSK (0.60) CTSKJAK2LMNAHPGDHTT
SCHEMBL1519799 0.86 CTSL (0.60) CTSKATMCTSSCTSBCTSL
SCHEMBL30376528 0.86 CTSK (0.60) CTSKATMCTSSCTSBCTSL
SCHEMBL1519803 0.86 CTSL (0.60) CTSKATMCTSSCTSBCTSL
SCHEMBL2825914 0.86 CTSK (0.60) CTSKJAK2LMNAHPGDHTT
SCHEMBL7094 0.85 ATM (0.62) CTSKATMCTSSCTSBCTSL
SCHEMBL1094506 0.85 ATM (0.62) CTSKATMCTSSCTSBCTSL
SCHEMBL390555 0.85 ATM (0.62) CTSKATMCTSSCTSBCTSL
SCHEMBL3786563 0.85 CTSK (0.64) CTSKALDH1A1KMT2AATMCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 US 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-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CTSK 1166/4885JAK2 920/4885LMNA 2823/4885

“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.