SCHEMBL6209427

SCHEMBL6209427

CCCC[C@H](CO)NC(=S)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.34
PLA2G2C Q5R387 2/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
EPHX1 P07099 1/20 0.32
CTSK P43235 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.31
QPCT Q16769 1/20 0.31
SMPD1 P17405 1/20 0.30

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
SCHEMBL6209428 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1PLA2G2CHDAC4
SCHEMBL6211331 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1HDAC4HDAC1
SCHEMBL6192794 0.79 NPC1 (0.36) MEN1KMT2AHDAC4HDAC1EPHX1
SCHEMBL6190954 0.77 HDAC4 (0.36) MEN1KMT2AHDAC4HDAC1EPHX1
SCHEMBL7140338 0.77 HDAC4 (0.36) MEN1KMT2AHDAC4HDAC1EPHX1
SCHEMBL27485820 0.74 ALDH1A1 (0.39) ALDH1A1PLA2G2CLMNA
SCHEMBL14266734 0.74 ALDH1A1 (0.41) ALDH1A1PLA2G2CLMNA
SCHEMBL4103972 0.70 ALDH1A1 (0.41) MEN1KMT2AALDH1A1PLA2G2CLMNA
SCHEMBL11507851 0.70 MEN1 (0.50) MEN1KMT2AALDH1A1EPHX1NPC1
SCHEMBL13810360 0.68 PLA2G2C (0.57) ALDH1A1PLA2G2C

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 MEN1 4869/4885KMT2A 1692/4885ALDH1A1 278/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 MEN1 4797/4885KMT2A 1810/4885ALDH1A1 322/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 MEN1 4862/4885KMT2A 1856/4885ALDH1A1 245/4885

“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.