SCHEMBL5458231

SCHEMBL5458231

COCc1ccc([C@H](COC)NC(N)=S)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
IDO1 P14902 2/20 0.34
KMT2A Q03164 2/20 0.33
RPS6KB1 P23443 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 3/20 0.33
MAN2A1 Q16706 1/20 0.33
MAN1B1 Q9UKM7 1/20 0.33
TACR3 P29371 1/20 0.32

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
SCHEMBL5453071 0.88 SMN1; SMN2 (0.42) TAS1R3TAS1R1IDO1KMT2ARPS6KB1
SCHEMBL5462339 0.85 ESR1 (0.36) ACACBIDO1KMT2AMEN1ATM
SCHEMBL5460841 0.85 ESR1 (0.36) ACACBIDO1KMT2AMEN1ATM
SCHEMBL5456091 0.83 MAPK1 (0.44) KMT2AMEN1ATMMAPK1
SCHEMBL5460600 0.83 RPS6KB1 (0.42) IDO1KMT2ARPS6KB1MEN1MAPK1
SCHEMBL5460826 0.83 MAPK1 (0.44) KMT2AMEN1ATMMAPK1
SCHEMBL5468204 0.83 SLC2A1 (0.38) ACACBTACR3
SCHEMBL5460850 0.83 TAS1R3 (0.48) TAS1R3TAS1R1RPS6KB1MAPK1MAN2A1
SCHEMBL5451453 0.74 TP53 (0.38) TAS1R3TAS1R1KMT2AMEN1MAPK1
SCHEMBL5455776 0.73 RPS6KB1 (0.37) RPS6KB1MAPK1

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 ACACB 4593/4885TAS1R3 934/4885TAS1R1 1070/4885

“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.