SCHEMBL6749422

SCHEMBL6749422

CCOC(=O)C(Cc1cccnc1)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.52
NLRP3 Q96P20 2/20 0.49
ACACB O00763 2/20 0.47
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 2/20 0.45
FDPS P14324 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
GPR132 Q9UNW8 1/20 0.43

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
SCHEMBL27502717 1.00 TACR1 (0.52) TACR1NLRP3ACACBKMT2APKM
SCHEMBL259952 0.89 NLRP3 (0.59) TACR1NLRP3ACACBALDH1A1FDPS
SCHEMBL17053683 0.89 NLRP3 (0.59) TACR1NLRP3ACACBALDH1A1FDPS
SCHEMBL6739005 0.86 NLRP3 (0.49) NLRP3KMT2APKMTP53CYP3A4
SCHEMBL3781118 0.83 GPR132 (0.55) ACACBFDPSGPR132
SCHEMBL6806623 0.83 TACR1 (0.53) TACR1NLRP3ACACBTP53POLB
SCHEMBL30801050 0.83 GPR132 (0.55) ACACBFDPSGPR132
SCHEMBL6192282 0.83 GPR132 (0.55) ACACBFDPSGPR132
SCHEMBL3781113 0.83 GPR132 (0.55) ACACBFDPSGPR132
SCHEMBL242241 0.83 TACR1 (0.71) TACR1TP53ALDH1A1POLBGAA

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
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 TACR1 1250/4885NLRP3 2047/4885ACACB 536/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 TACR1 1044/4885NLRP3 1499/4885ACACB 952/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 TACR1 1241/4885NLRP3 2212/4885ACACB 581/4885

“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.