SCHEMBL3594753

SCHEMBL3594753

CCOc1ccc(C2CCCC2)cc1-c1csc(C(N)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCN9A Q15858 1/20 0.39
TYR P14679 1/20 0.39
PLAU P00749 1/20 0.36
PDE5A O76074 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
AGPAT2 O15120 1/20 0.36
CCR5 P51681 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.34
PDE4A P27815 4/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 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
SCHEMBL3600043 0.99 TYR (0.40) CYP3A4CYP2D6CYP2C9SCN9ATYR
SCHEMBL3580803 0.88 PDE4B (0.42) CYP3A4CYP2D6CYP2C9SCN9ATYR
SCHEMBL3598527 0.87 PDE4B (0.42) CYP3A4CYP2D6CYP2C9SCN9ATYR
SCHEMBL3594756 0.85 ALDH1A1 (0.44) TYRPLAUPDE5AAGPAT2MAPK1
SCHEMBL3600047 0.84 ALDH1A1 (0.43) TYRPLAUPDE5AAGPAT2MAPK1
SCHEMBL3590583 0.77 TP53 (0.39) CYP3A4CYP2D6CYP2C9SCN9AAGPAT2
SCHEMBL3143453 0.74 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9SCN9ATYR
SCHEMBL13199002 0.74 MAPT (0.45) TYRMAPK1SMN1; SMN2
SCHEMBL7443894 0.74 DHODH (0.45) CYP3A4CYP2D6CYP2C9SCN9AHDAC1
SCHEMBL13198993 0.73 MAPT (0.45) TYRMAPK1SMN1; SMN2

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-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US claimed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US claimed
EP-1984361-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-10-29 EP claimed
WO-2007077394-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-07-12 WO claimed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US disclosed
EP-1984361-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-10-29 EP disclosed
WO-2007077394-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-07-12 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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 CYP3A4 4/4885CYP2D6 29/4885CYP2C9 24/4885

“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.