SCHEMBL2833917

SCHEMBL2833917

COc1cc(C)c(S(=O)(=O)N(C)C(CO)c2ccccc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
KEAP1 Q14145 5/20 0.41
NFE2L2 Q16236 3/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
BMP1 P13497 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
NR3C1 P04150 1/20 0.38
BDKRB1 P46663 5/20 0.38
GPR88 Q9GZN0 1/20 0.38
ACP3 P15309 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
SCHEMBL11888775 0.74 BDKRB1 (0.41) KEAP1NFE2L2MEN1TSHRKMT2A
SCHEMBL11888737 0.74 BDKRB1 (0.44) KEAP1NFE2L2BDKRB1
SCHEMBL10246053 0.73 TSHR (0.47) KEAP1NFE2L2MEN1TSHRKMT2A
SCHEMBL2832726 0.73 GAA (0.38) MEN1KMT2ABDKRB1
SCHEMBL4091783 0.71 TAS2R14 (0.48) TSHRBMP1
SCHEMBL571182 0.71 BDKRB1 (0.53) BDKRB1
SCHEMBL4303708 0.70 BDKRB1 (0.44) BMP1BDKRB1
SCHEMBL3443096 0.70 KEAP1 (0.49) KEAP1NFE2L2KMT2ABDKRB1
SCHEMBL3991616 0.69 BDKRB1 (0.43) BDKRB1
SCHEMBL12010515 0.68 BDKRB1 (0.47) MEN1KMT2ABDKRB1

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 TACR1 797/4885KEAP1 4283/4885NFE2L2 4489/4885

“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.