SCHEMBL6192176

SCHEMBL6192176

CC(=O)N[C@@H](CO)Cc1cncs1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.45
PCNA P12004 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 8/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A3 Q01959 2/20 0.35
LMNA P02545 1/20 0.35
MTNR1B P49286 1/20 0.34
CTSK P43235 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34

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
SCHEMBL6192171 1.00 ACACB (0.45) ACACBPCNANPC1RAB9ASMN1; SMN2
SCHEMBL6209741 0.79 CYP3A4 (0.36) ACACBNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL6194153 0.79 SMN1; SMN2 (0.46) ACACBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL27502716 0.79 PARP15 (0.34) ACACBCYP3A4TDP1SLC6A3PARP15
SCHEMBL6194155 0.79 SMN1; SMN2 (0.46) ACACBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6751553 0.76 SLC6A3 (0.32) ACACBNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL6209740 0.76 SLC6A3 (0.32) ACACBNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL29006606 0.74 ROCK2 (0.47) CYP3A4SLC6A3
SCHEMBL7982479 0.72 ACACB (0.46) ACACBNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL4062661 0.70 ROCK2 (0.55) ACACBPCNACYP3A4LMNA

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
US-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 US disclosed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP 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
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO 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 536/4885PCNA 4389/4885NPC1 3245/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 ACACB 952/4885PCNA 4602/4885NPC1 2342/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 ACACB 581/4885PCNA 4240/4885NPC1 3096/4885

“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.