SCHEMBL3877337

SCHEMBL3877337

COc1ccc(-c2cc(NCCO)nc(S(C)(=O)=O)n2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.53
HPGD P15428 4/20 0.53
TP53 P04637 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 4/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
SDHB P21912 3/20 0.43
BPTF Q12830 6/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
MITF O75030 2/20 0.41
STAT3 P40763 2/20 0.41
S1PR1 P21453 1/20 0.41
POLB P06746 1/20 0.41
STAT1 P42224 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
SCHEMBL3879723 0.81 CTSS (0.63) CTSSCTSKS1PR1
SCHEMBL3882513 0.79 SDHB (0.48) NPSR1HPGDTP53SMN1; SMN2LMNA
SCHEMBL4500775 0.75 PTGDR (0.66) NPSR1HPGDTP53SMN1; SMN2LMNA
SCHEMBL14392718 0.73 PTGDR (0.55) NPSR1HPGDTP53SMN1; SMN2LMNA
SCHEMBL13912201 0.70 TP53 (1.00) NPSR1HPGDTP53SMN1; SMN2LMNA
SCHEMBL3879822 0.69 TP53 (0.47) NPSR1HPGDTP53SMN1; SMN2LMNA
SCHEMBL3405083 0.67 FAAH (0.67)
SCHEMBL3875427 0.67 CTSK (0.55) NPSR1HPGDLMNAKMT2AHSD17B10
SCHEMBL4504939 0.65 PTGDR (0.69)
SCHEMBL20985630 0.65 SDHB (0.70) SDHB

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 NPSR1 613/4885HPGD 1058/4885TP53 1689/4885

“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.