SCHEMBL6193643

SCHEMBL6193643

CC(=O)N[C@@H](CO)Cc1cccc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.51
ANPEP P15144 1/20 0.50
ENPEP Q07075 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
SLC7A5 Q01650 2/20 0.47
MEP1B Q16820 2/20 0.46

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
SCHEMBL27484069 0.83 ANPEP (0.51) FOLH1ANPEPENPEPCYP3A4MAPK1
SCHEMBL2089507 0.83 MAPK1 (0.69) CYP3A4MAPK1
SCHEMBL6319150 0.83 MAPK1 (0.69) CYP3A4MAPK1
SCHEMBL6529461 0.83 MAPK1 (0.69) CYP3A4MAPK1
SCHEMBL6236716 0.81 NPC1 (0.46) FOLH1ANPEPENPEPCYP3A4MAPK1
SCHEMBL14377905 0.79 CTRB1 (0.71) FOLH1ANPEPENPEP
SCHEMBL4270380 0.79 CTRB1 (0.71) FOLH1ANPEPENPEP
SCHEMBL4315518 0.79 CTRB1 (0.71) FOLH1ANPEPENPEP
SCHEMBL29795262 0.79 CTRB1 (0.71) FOLH1ANPEPENPEP
SCHEMBL29676431 0.79 MTNR1A (0.52)

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 FOLH1 3383/4885ANPEP 1370/4885ENPEP 2252/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 FOLH1 3557/4885ANPEP 1235/4885ENPEP 2705/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 FOLH1 3349/4885ANPEP 1546/4885ENPEP 2341/4885

“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.