SCHEMBL6747808

SCHEMBL6747808

CC(C)(C)NC(=S)N[C@@H](CO)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.52
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.48
TGM2 P21980 1/20 0.47
SIRT2 Q8IXJ6 5/20 0.47
SIRT1 Q96EB6 3/20 0.47
SIRT3 Q9NTG7 3/20 0.47
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6191129 0.86 FOLH1 (0.69) FOLH1HTTSIRT2SIRT1SIRT3
SCHEMBL19295618 0.84 HTT (0.60) FOLH1HTTTGM2KEAP1NFE2L2
SCHEMBL21789935 0.84 MAPT (0.63) FOLH1HTTMAPTTGM2LMNA
SCHEMBL21790401 0.84 MAPT (0.63) FOLH1HTTMAPTTGM2LMNA
SCHEMBL2512643 0.84 MAPT (0.63) FOLH1HTTMAPTTGM2LMNA
SCHEMBL6193729 0.83 FOLH1 (0.74) FOLH1TGM2SIRT2SIRT1SIRT3
SCHEMBL6194942 0.83 FOLH1 (0.74) FOLH1TGM2SIRT2SIRT1SIRT3
SCHEMBL23161521 0.82 SYK (0.65) FOLH1HTTMAPT
SCHEMBL2512642 0.82 SYK (0.65) FOLH1HTTMAPT
SCHEMBL19301063 0.82 SYK (0.65) FOLH1HTTMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FOLH1 3383/4885HTT 2666/4885MAPT 4150/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 FOLH1 3557/4885HTT 1826/4885MAPT 4261/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 FOLH1 3349/4885HTT 2979/4885MAPT 4256/4885

“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.