SCHEMBL3875223

SCHEMBL3875223

CS(=O)(=O)c1nc(OCCN2CCCCC2)cc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
KCNH2 Q12809 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
LTA4H P09960 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ACP1 P24666 1/20 0.44
SLC2A1 P11166 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CXCR1 P25024 1/20 0.43
SDHB P21912 4/20 0.43
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
MEN1 O00255 1/20 0.41
S1PR4 O95977 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3882387 0.83 CTSK (0.49) CTSKKCNH2CTSBCTSSLTA4H
SCHEMBL3875703 0.81 CTSK (0.69) CTSKKCNH2CTSBCTSSLTA4H
SCHEMBL3875432 0.78 SDHB (0.51) KCNH2SDHBMEN1S1PR4LMNA
SCHEMBL3874455 0.74 CTSK (0.70) CTSKKCNH2CTSBCTSSMEN1
SCHEMBL5593061 0.73 SDHB (0.68) SDHBMEN1S1PR4LMNATP53
SCHEMBL3569045 0.72 SDHB (0.76) SDHBMEN1S1PR4LMNATP53
SCHEMBL4592830 0.72 CTSK (0.50) CTSKKCNH2CTSBCTSSSDHB
SCHEMBL8666474 0.71 SDHB (0.56) CTSKCTSSSDHBMEN1S1PR4
SCHEMBL17590 0.70 KMO (0.59) CTSSSDHBMEN1S1PR4LMNA
SCHEMBL11244902 0.70 LTA4H (0.81) LTA4HHRH3LMNAPOLBHTT

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
EP-1928842-B1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2009-11-18 EP disclosed
EP-1928842-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2008-06-11 EP disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 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 (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-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives CTSK, CTSS, CTSF CTSK 1/4885KCNH2 2191/4885CTSB 4/4885

“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.