SCHEMBL4447813

SCHEMBL4447813

CCCc1cc(-c2cccc(C(C)C)c2)nc(S(C)(=O)=O)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.61
CTSS P25774 13/20 0.61
SDHB P21912 4/20 0.43
BPTF Q12830 1/20 0.41
MEN1 O00255 1/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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
Bicarbonate SCHEMBL5548105 0.93 CTSS (0.55) CTSKCTSSSDHBBPTFMEN1
Bicarbonate SCHEMBL5548104 0.93 CTSS (0.55) CTSKCTSSSDHBBPTFMEN1
Bicarbonate SCHEMBL5548103 0.92 CTSK (0.54) CTSKCTSSSDHBBPTFMEN1
SCHEMBL4444428 0.76 CTSK (1.00) CTSKCTSS
SCHEMBL5548112 0.73 CTSK (0.93) CTSKCTSS
SCHEMBL4447130 0.69 SDHB (0.42) CTSKCTSSSDHBBPTFMEN1
SCHEMBL3626772 0.68 CTSS (0.50) CTSKCTSSMEN1TP53POLB
SCHEMBL4444099 0.68 GLP1R (0.43) CTSKCTSSLMNATP53POLB
SCHEMBL13707277 0.68 CTSK (0.49) CTSKCTSSSDHBBPTFMEN1
SCHEMBL4442546 0.67 CTSK (0.62) CTSKCTSSSDHBMEN1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589095-B2 4-phenyl-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2009-09-15 US disclosed
EP-1758870-B1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2008-08-13 EP disclosed
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives Cai, Jiaqiang 2008-04-17 US disclosed
EP-1758870-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2007-03-07 EP disclosed
WO-2005121106-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2005-12-22 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-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives P2RY4, P2RX4, P2RY1 CTSK 1852/4885CTSS 2645/4885SDHB 3344/4885

“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.