SCHEMBL5469855

SCHEMBL5469855

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.32
DPP4 P27487 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MAPK1 P28482 1/20 0.31
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL27465380 0.86 ITGB3 (0.30)
SCHEMBL5458535 0.81 LMNA (0.41) TAS1R3TAS1R1MEN1KMT2ANPSR1
SCHEMBL5460841 0.79 ESR1 (0.36) IDO1MEN1KMT2A
SCHEMBL5462339 0.79 ESR1 (0.36) IDO1MEN1KMT2A
SCHEMBL27482886 0.78 MAPK1 (0.33) PDE2ADPP4TAS1R3TAS1R1MAPK1
SCHEMBL5455755 0.76 DPP4 (0.37) DPP4IDO1AGXTMEN1KMT2A
SCHEMBL27482180 0.76 DPP4 (0.37) DPP4IDO1AGXTMEN1KMT2A
SCHEMBL13953463 0.76 ESR1 (0.36) DPP4TAS1R3TAS1R1IDO1AGXT
SCHEMBL5463448 0.76 KMT2A (0.44) MEN1KMT2A
SCHEMBL5460687 0.73 LMNA (0.39) MEN1KMT2ANPSR1

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
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
CN-1370154-A Aminothiazole derivatives and their use as CRF receptor ligands SANOFI SYNTHELABO (FR) 2002-09-18 CN 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 PDE2A 1414/4885DPP4 933/4885TAS1R3 934/4885

“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.