SCHEMBL6189185

SCHEMBL6189185

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MMP9 P14780 3/20 0.42
▸ MMP8 P22894 3/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ RPS6KA5 O75582 1/20 0.42
▸ RPS6KA4 O75676 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ PRKG1 Q13976 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ SGK2 Q9HBY8 1/20 0.42

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
SCHEMBL4291861 0.84 ALDH1A1 (0.57) ALDH1A1MMP2CTSSCTSKNPC1
SCHEMBL4028404 0.84 ALDH1A1 (0.57) ALDH1A1MMP2CTSSCTSKNPC1
SCHEMBL6192242 0.84 ALDH1A1 (0.57) ALDH1A1MMP2CTSSCTSKNPC1
SCHEMBL14850462 0.84 ACACB (0.46) ALDH1A1CYP3A4MMP9MMP8MMP2
SCHEMBL6192633 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4MMP9MMP8MMP2
SCHEMBL12220090 0.83 TSHR (0.47) ALDH1A1CYP3A4MMP9MMP8MMP2
SCHEMBL14898389 0.83 TSHR (0.47) ALDH1A1CYP3A4MMP9MMP8MMP2
SCHEMBL15075356 0.83 TSHR (0.47) ALDH1A1CYP3A4MMP9MMP8MMP2
SCHEMBL4062224 0.80 LMNA (0.56) ALDH1A1CYP3A4FOLH1CTSSCTSK
SCHEMBL9345640 0.80 LMNA (0.56) ALDH1A1CYP3A4FOLH1CTSSCTSK

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 6 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
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 ALDH1A1 278/4885CYP3A4 31/4885MMP9 4037/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 ALDH1A1 322/4885CYP3A4 22/4885MMP9 3946/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 ALDH1A1 245/4885CYP3A4 38/4885MMP9 3936/4885

“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.

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