SCHEMBL15968249

SCHEMBL15968249

N#CC1(NC(=O)O)CCS(O)(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.38
CTSC P53634 2/20 0.34
CTSS P25774 5/20 0.34
CTSK P43235 5/20 0.34
CTSB P07858 3/20 0.34
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL15968247 0.85 CTSS (0.43) CTSLCTSCCTSSCTSKCTSB
SCHEMBL3831093 0.84 CTSL (0.45) CTSLCTSCCTSSCTSKCTSB
SCHEMBL1935295 0.83
SCHEMBL23573464 0.79 CTSL (0.41) CTSLCTSCCTSSCTSKCTSB
SCHEMBL5125202 0.74 CNR1 (0.41) CTSLCTSCCTSSCTSKCTSB
SCHEMBL14842066 0.74 CTSL (0.36) CTSLCTSCCTSSCTSKCTSB
SCHEMBL19995774 0.74 CTSC (0.38) CTSLCTSCCTSSCTSKCTSB
SCHEMBL51982 0.69 CTSS (0.36) CTSLCTSCCTSSCTSKCTSB
SCHEMBL23794141 0.69 CTSL (0.62) CTSLCTSCCTSSCTSKCTSB
SCHEMBL20335411 0.69 CTSL (0.62) CTSLCTSCCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK CTSL 2569/4885CTSC 994/4885CTSS 1328/4885

“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.