SCHEMBL4447130

SCHEMBL4447130

CC(C)(C)Cc1cccc(-c2cc(CCCO)nc(S(C)(=O)=O)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 9/20 0.42
CTSK P43235 6/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
STAT3 P40763 2/20 0.40
STAT1 P42224 2/20 0.40
RAB9A P51151 2/20 0.40
TLR9 Q9NR96 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
S1PR4 O95977 1/20 0.40
POLB P06746 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
CTSS P25774 5/20 0.39

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
SCHEMBL13707277 0.85 CTSK (0.49) SDHBCTSKKCNH2LMNANPSR1
SCHEMBL4442546 0.82 CTSK (0.62) SDHBCTSKKCNH2LMNANPSR1
SCHEMBL4442120 0.81 CTSK (0.42) CTSKKCNH2CTSSGRM2
SCHEMBL4444259 0.77 CTSK (0.42) SDHBCTSKKCNH2LMNANPSR1
SCHEMBL4447133 0.74 SDHB (0.40) SDHBCTSKKCNH2LMNANPSR1
SCHEMBL4447813 0.69 CTSK (0.61) SDHBCTSKLMNANPSR1STAT3
SCHEMBL5749218 0.69 HTR1B (0.39) SDHBLMNANPSR1STAT3STAT1
SCHEMBL27662827 0.69 SDHB (0.51) SDHBLMNANPSR1STAT3STAT1
Bicarbonate SCHEMBL5548104 0.67 CTSS (0.55) SDHBCTSKLMNANPSR1STAT3
Bicarbonate SCHEMBL5548105 0.67 CTSS (0.55) SDHBCTSKLMNANPSR1STAT3

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-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

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 SDHB 3344/4885CTSK 1852/4885KCNH2 2293/4885

“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.