SCHEMBL6212969

SCHEMBL6212969

CC(C)(C)NC(=S)N[C@@H](CO)Cc1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
OPRM1 P35372 10/20 0.37
OPRD1 P41143 7/20 0.37
OPRK1 P41145 7/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.35
PSMB5 P28074 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRL1 P41146 1/20 0.32

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
SCHEMBL6195886 0.87 NPC1 (0.39) MMENPC1RAB9AOPRM1OPRD1
SCHEMBL6232713 0.80 NPC1 (0.55) MMENPC1RAB9ACYP3A4MAPK1
SCHEMBL6209680 0.79 CNR1 (0.44) NPC1RAB9AOPRD1OPRK1CYP3A4
SCHEMBL27502335 0.79 MME (0.42) MMENPC1RAB9AOPRM1OPRD1
SCHEMBL6209835 0.78 POLB (0.43) NPC1RAB9ACYP3A4MAPK1KMT2A
SCHEMBL6209840 0.78 POLB (0.43) NPC1RAB9ACYP3A4MAPK1KMT2A
SCHEMBL6210753 0.76 KMT2A (0.40) NPC1RAB9ACYP3A4MAPK1KMT2A
SCHEMBL6192493 0.76 MME (0.48) MMENPC1RAB9AOPRM1OPRD1
SCHEMBL27486169 0.76 MME (0.48) MMENPC1RAB9AOPRM1OPRD1
SCHEMBL8245580 0.75 CTSS (0.60) MMEOPRM1OPRD1OPRK1CTSS

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 MME 4106/4885NPC1 3245/4885RAB9A 4602/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 MME 4077/4885NPC1 2342/4885RAB9A 3994/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 MME 4172/4885NPC1 3096/4885RAB9A 4632/4885

“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.