SCHEMBL5455776

SCHEMBL5455776

COC[C@H](NC(N)=S)c1ccc(Cl)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.37
AKT1 P31749 2/20 0.37
MAPK1 P28482 5/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
GPR139 Q6DWJ6 5/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK3 P27361 1/20 0.35
MAPT P10636 1/20 0.34
CTSA P10619 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
SCHEMBL5451453 0.85 TP53 (0.38) MAPK1MAPTCTSA
SCHEMBL27482886 0.83 MAPK1 (0.33) MAPK1
SCHEMBL5456091 0.80 MAPK1 (0.44) MAPK1
SCHEMBL5460826 0.80 MAPK1 (0.44) MAPK1
SCHEMBL5460600 0.80 RPS6KB1 (0.42) RPS6KB1MAPK1SLC6A4SLC6A2SLC6A3
SCHEMBL5460850 0.74 TAS1R3 (0.48) RPS6KB1MAPK1MAPT
SCHEMBL5463468 0.74 SLC6A4 (0.41) MAPK1SLC6A4SLC6A2SLC6A3CCNA2
SCHEMBL5449353 0.74 SLC6A4 (0.41) MAPK1SLC6A4SLC6A2SLC6A3CCNA2
SCHEMBL16649809 0.74 SLC6A4 (0.41) MAPK1SLC6A4SLC6A2SLC6A3CCNA2
SCHEMBL17176032 0.74 SLC6A4 (0.41) MAPK1SLC6A4SLC6A2SLC6A3CCNA2

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 7 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
CN-1167692-C Aminothiazole derivatives and their use as CRF receptor ligands ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-09-22 CN 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 RPS6KB1 1647/4885AKT1 3273/4885MAPK1 1707/4885

“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.