SCHEMBL6192467

SCHEMBL6192467

CC(=O)N[C@@H](CO)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.48
ECE1 P42892 2/20 0.48
CYP3A4 P08684 3/20 0.48
MAPK1 P28482 2/20 0.48
FDPS P14324 1/20 0.48
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 3/20 0.47
RPS6KA5 O75582 1/20 0.47
RPS6KA4 O75676 1/20 0.47
PRKACA P17612 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47
PRKX P51817 1/20 0.47
PRKG1 Q13976 1/20 0.47
PKN2 Q16513 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
SGK2 Q9HBY8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL27503053 1.00 ACACB (0.48) ACACBECE1CYP3A4MAPK1FDPS
SCHEMBL27342817 0.87 ECE1 (0.52) ECE1CYP3A4MAPK1FDPSROCK2
SCHEMBL8928262 0.87 ECE1 (0.52) ECE1CYP3A4MAPK1FDPSROCK2
SCHEMBL14114760 0.86 CYP3A4 (0.52) ACACBECE1CYP3A4MAPK1FDPS
SCHEMBL9657331 0.82 ACACB (0.65) ACACBFDPSTBXAS1
SCHEMBL4062661 0.81 ROCK2 (0.55) ACACBCYP3A4MAPK1ROCK2ROCK1
SCHEMBL6025195 0.81 CYP3A4 (0.58) CYP3A4
SCHEMBL1541816 0.81 CYP3A4 (0.58) CYP3A4
SCHEMBL3842905 0.81 CYP3A4 (0.58) CYP3A4
SCHEMBL6529461 0.81 MAPK1 (0.69) CYP3A4MAPK1ROCK2ROCK1RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299365-B1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
CN-1202096-C 2-aminothiazoline derivatives and their use as no-synthase inhibitors AVENTIS PHARMA SA (FR) 2005-05-18 CN disclosed
US-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 US disclosed
CN-1444572-A 2-aminothiazoline derivatives and their use as no-synthase inhibitors AVENTIS PHARMA SA (FR) 2003-09-24 CN 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 ACACB 536/4885ECE1 1038/4885CYP3A4 31/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 ACACB 952/4885ECE1 1241/4885CYP3A4 22/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 ACACB 581/4885ECE1 1001/4885CYP3A4 38/4885

“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.