SCHEMBL3590583

SCHEMBL3590583

CCCCc1ccc(OCC)c(-c2csc(C(N)=O)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
MDM2 Q00987 4/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
PLA2G4A P47712 1/20 0.38
AGPAT2 O15120 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
SCN9A Q15858 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL3602404 0.90 KMT2A (0.45) MEN1KMT2AL3MBTL1MAPK1MAPT
SCHEMBL1415942 0.84 ALDH1A1 (0.46) GABRA1GABRB2AGPAT2MEN1KMT2A
SCHEMBL2958088 0.83 KMT2A (0.47) GABRA1GABRB2MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4501141 0.82 KMT2A (0.46) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL3594753 0.77 CYP3A4 (0.39) AGPAT2CYP3A4CYP2D6CYP2C9SCN9A
SCHEMBL3600043 0.76 TYR (0.40) AGPAT2CYP3A4CYP2D6CYP2C9SCN9A
SCHEMBL1415653 0.73 ALDH1A1 (0.60) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL3595260 0.72 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1MAPK1MAPT
SCHEMBL8984881 0.67 CYP1A2 (0.49) TP53MDM2GABRA1GABRB2CYP2D6
SCHEMBL9613227 0.67 MAPT (0.51) CYP3A4CYP2D6CYP2C9SCN9AMEN1

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 10 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-7598392-B2 2-amido-4-phenylthiazole derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2009-10-06 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
US-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2007-11-08 US 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 (2 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-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof PKD2, TPMT, PKD1 TP53 1154/4885MDM2 2478/4885GABRA1 1956/4885
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 TP53 1114/4885MDM2 2270/4885GABRA1 1465/4885

“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.