SCHEMBL3584781

SCHEMBL3584781

Cc1oncc1S(=O)(=O)N1CCCCC1CN1CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
CASP3 P42574 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
BRD4 O60885 2/20 0.34
BRD2 P25440 2/20 0.34
BRD3 Q15059 2/20 0.34
BRDT Q58F21 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
HTR7 P34969 2/20 0.33
TP53 P04637 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR1D P28221 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL3592514 0.82 TP53 (0.37) NAMPTCASP3KMT2AALDH1A1MCOLN3
SCHEMBL3591997 0.80 ALDH1A1 (0.47) KMT2AALDH1A1MEN1
SCHEMBL13037000 0.80 KMT2A (0.52) NAMPTKMT2AALDH1A1MCOLN3MAPT
SCHEMBL3596139 0.80 KMT2A (0.47) CASP3KMT2AALDH1A1MCOLN3MEN1
SCHEMBL3598308 0.77 NAMPT (0.40) NAMPTCASP3ALDH1A1BRD4BRD2
SCHEMBL3582654 0.74 CD274 (0.42) KMT2ATP53
SCHEMBL3590459 0.73 MMP1 (0.54)
SCHEMBL3595571 0.73 FPR2 (0.41) CASP3KMT2AALDH1A1MEN1
SCHEMBL3580892 0.72 GAA (0.34) CASP3
SCHEMBL3595078 0.68 BRD4 (0.35) BRD4BRD2BRD3BRDT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US 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

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 NAMPT 1098/4885CASP3 312/4885KMT2A 721/4885

“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.