SCHEMBL2833939

SCHEMBL2833939

O=S(=O)(c1ccccc1C(F)(F)F)N(CCO)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ESR2 Q92731 5/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
HSD11B1 P28845 2/20 0.41
ESR1 P03372 1/20 0.38
NPY1R P25929 2/20 0.38
NPY5R Q15761 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL13232688 0.86 RORC (0.45) RORCRAB9AMEN1KMT2AESR2
SCHEMBL3235852 0.84 ATM (0.48) RORCRAB9AMEN1KMT2AESR2
SCHEMBL4380676 0.81 RAB9A (0.46) RORCRAB9AMEN1KMT2AESR2
SCHEMBL3994492 0.78 RAB9A (0.47) RAB9AMEN1KMT2ADPP4DPP8
SCHEMBL15916790 0.74 TDP1 (0.69) MEN1KMT2AALOX5APFEN1ATM
SCHEMBL2831850 0.73 RORC (0.37) RORCALOX5APFEN1DPP4DPP8
SCHEMBL1935711 0.72 RORC (0.43) RORCRAB9AMEN1KMT2AESR2
SCHEMBL4282662 0.70 HTR2C (0.48) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL3216775 0.70 MEN1 (0.44) RORCRAB9AMEN1KMT2ADPP4
SCHEMBL10918396 0.69 RAB9A (0.46) RAB9AMEN1KMT2ATDP1HSD11B1

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 7 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
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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 2001/4885RAB9A 134/4885MEN1 4037/4885

“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.