SCHEMBL2054692

SCHEMBL2054692

COC(=O)[C@H](CN1CCOCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.44
CTSL P07711 3/20 0.42
CTSB P07858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
CTSS P25774 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSD P07339 1/20 0.40
PADI1 Q9ULC6 1/20 0.40
PADI4 Q9UM07 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KLK5 Q9Y337 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
ITGB3 P05106 1/20 0.38

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
SCHEMBL20568413 1.00 CTSK (0.44) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL20568411 1.00 CTSK (0.44) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL4360723 0.88 ALDH1A1 (0.48) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL5354771 0.88 ALDH1A1 (0.48) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL30191278 0.87 PADI1 (0.45) CTSKCTSLCTSBCTSSPADI1
SCHEMBL30556882 0.87 PADI1 (0.45) CTSKCTSLCTSBCTSSPADI1
SCHEMBL10164354 0.87 CTSK (0.43) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL5142965 0.86 ALDH1A1 (0.47) CTSKCTSLCTSBSMN1; SMN2USP2
SCHEMBL30557002 0.86 PADI1 (0.47) CTSKCTSLCTSBCTSSPADI1
Potassium Ion SCHEMBL5142962 0.85 CTSK (0.43) CTSKCTSLCTSBSMN1; SMN2USP2

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
US-20070203337-A1 USE OF 2-AMINO-THIAZOLINE DERIVATIVES AS INHIBITORS OF INDUCIBLE NO-SYNTHASE AVENTIS PHARMA S.A. (FR) 2007-08-30 US claimed
EP-1446393-B1 2-AMINO-THIAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF INDUCIBLE NO-SYNTHASE AVENTIS PHARMA SA (FR) 2006-03-08 EP claimed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
WO-2006134341-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2006-12-21 WO disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 CTSK 3103/4885CTSL 2570/4885CTSB 2868/4885
US-20070203337-A1 USE OF 2-AMINO-THIAZOLINE DERIVATIVES AS INHIBITORS OF INDUCIBLE NO-SYNTHASE NOS2, PAH, TH CTSK 4343/4885CTSL 3139/4885CTSB 3376/4885

“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.