SCHEMBL3598527

SCHEMBL3598527

COc1ccc(C2CCCCC2)cc1-c1csc(C(N)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SCN9A Q15858 1/20 0.40
TYR P14679 1/20 0.40
PLAU P00749 1/20 0.39
CPT1A P50416 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
STK17B O94768 1/20 0.38

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
SCHEMBL3580803 0.99 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DNPSR1
SCHEMBL3600043 0.89 TYR (0.40) PDE4BPDE4APDE4CPDE4DNPSR1
SCHEMBL3594753 0.87 CYP3A4 (0.39) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL1415171 0.84 ALDH1A1 (0.59) PDE4BPDE4APDE4CPDE4DNPSR1
SCHEMBL3580804 0.83 ALDH1A1 (0.60) PDE4BPDE4APDE4CPDE4DNPSR1
SCHEMBL3595193 0.79 PDE4B (0.45) PDE4BKDM4EALDH1A1CPT1AMEN1
SCHEMBL1724259 0.79 ALDH1A1 (0.53) NPSR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3600029 0.79 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DS1PR1
SCHEMBL7443894 0.78 DHODH (0.45) ALDH1A1CYP3A4CYP2D6CYP2C9SCN9A
SCHEMBL3143453 0.76 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9SCN9ATYR

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 12 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-7598392-B2 2-amido-4-phenylthiazole derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2009-10-06 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
US-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2007-11-08 US 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 PDE4B 956/4885PDE4A 1006/4885PDE4C 2437/4885
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 PDE4B 267/4885PDE4A 146/4885PDE4C 443/4885

“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.