SCHEMBL5454428

SCHEMBL5454428

NC(=S)N[C@@H](CC1CC1)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.43
ITGB3 P05106 4/20 0.40
ITGA2B P08514 3/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
MAPK9 P45984 1/20 0.39
GAA P10253 4/20 0.39
ALOX12 P18054 1/20 0.39
MAPT P10636 3/20 0.38
ITGAV P06756 2/20 0.38
EDNRA P25101 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5457069 0.81 RAB9A (0.47) SMN1; SMN2RAB9AHPGDITGB3ITGA2B
SCHEMBL5469969 0.80 RAB9A (0.52) SMN1; SMN2RAB9AHPGDITGB3ITGA2B
SCHEMBL27465376 0.76 ACACA (0.32)
SCHEMBL5460628 0.75 MEN1 (0.36) MEN1KMT2A
SCHEMBL5462256 0.75 GCK (0.38) MAPTMEN1KMT2A
SCHEMBL5455397 0.75 FFAR2 (0.38) SMN1; SMN2RAB9AHPGDGAAMAPT
SCHEMBL27523846 0.75 MEN1 (0.36) MEN1KMT2A
SCHEMBL5459987 0.75 SLC6A4 (0.46) HPGDMAPK9EDNRAMEN1KMT2A
SCHEMBL6564036 0.75 SLC6A4 (0.46) HPGDMAPK9EDNRAMEN1KMT2A
SCHEMBL5455828 0.75 OPRM1 (0.43) MAPTMEN1KMT2A

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
US-8420679-B2 Aminothiazole derivatives and their use as CRF receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands SANOFI-AVENTIS (FR) 2007-12-06 US disclosed
EP-1200419-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2004-04-14 EP disclosed
US-6586456-B1 Corticotropin releasing factor (CRF) antagonists such as (4-(2-chloro-4-methoxy-5-methylphenyl)-5-methylthiazol-2-yl)(( (1-(3-fluoro-4-methylphenyl)-2-methoxyethyl))prop-2-ynylamine, prepared by alkylation with propagyl bromide SANOFI-SYNTHELABO (FR) 2003-07-01 US disclosed
EP-1200419-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001005776-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-01-25 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 (1 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-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands CRH, CRHR1, CRHR2 SMN1; SMN2 4326/4885RAB9A 3096/4885HPGD 2488/4885

“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.