SCHEMBL2831850

SCHEMBL2831850

O=S(=O)(c1ccccc1C(F)(F)F)N(CCOc1nccc(Cl)n1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
CTSS P25774 13/20 0.36
BDKRB1 P46663 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 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
SCHEMBL2834474 0.77 CTSS (0.40) RORCCTSS
SCHEMBL12342500 0.76 SLC40A1 (0.35) RORCBDKRB1
SCHEMBL2836994 0.74 RXRA (0.30)
SCHEMBL4380676 0.73 RAB9A (0.46) RORCBDKRB1DPP4DPP8DPP9
SCHEMBL2833939 0.73 RORC (0.45) RORCALOX5APFEN1DPP4DPP8
SCHEMBL13232688 0.73 RORC (0.45) RORCDPP4DPP8DPP9DPP7
SCHEMBL3235852 0.71 ATM (0.48) RORCBDKRB1DPP4DPP8DPP9
SCHEMBL2833969 0.69 BDKRB1 (0.36) BDKRB1
SCHEMBL5118595 0.64 HTT (0.45) RORCHTR2A
SCHEMBL1935711 0.63 RORC (0.43) RORCDPP4DPP8DPP9DPP7

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-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS RORC 2001/4885CTSS 2788/4885BDKRB1 46/4885

“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.