SCHEMBL6749429

SCHEMBL6749429

CC(=O)[C@@H](Cc1ccncc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.52
CTSK P43235 7/20 0.52
CTSB P07858 2/20 0.52
CTSL P07711 1/20 0.52
ACE P12821 1/20 0.50
CYP17A1 P05093 2/20 0.49
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
AKT1 P31749 1/20 0.46
ATM Q13315 1/20 0.45
REN P00797 1/20 0.44
KLK5 Q9Y337 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
SCHEMBL3338649 0.89 ACE (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL16658 0.89 ACE (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL478774 0.89 ACE (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL13541200 0.88 KLK5 (0.57) CTSSCTSKCTSBCTSLACE
SCHEMBL3364787 0.88 KLK5 (0.57) CTSSCTSKCTSBCTSLACE
SCHEMBL13538229 0.88 KLK5 (0.57) CTSSCTSKCTSBCTSLACE
SCHEMBL17452269 0.87 CTSS (0.48) CTSSCTSKCTSBCTSLACE
SCHEMBL6752505 0.86 ACE (0.54) CTSSCTSKCTSBCTSLACE
SCHEMBL7328199 0.86 CTSS (0.56) CTSSCTSKCTSBCTSLACE
SCHEMBL9491980 0.86 CTSS (0.56) CTSSCTSKCTSBCTSLACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 US disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 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 (3 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-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 CTSS 3866/4885CTSK 4438/4885CTSB 4701/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 CTSS 3131/4885CTSK 4019/4885CTSB 4513/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 CTSS 3867/4885CTSK 4466/4885CTSB 4714/4885

“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.