Sugi Predict

Sugi Predict / Compounds / SCHEMBL2833638

SCHEMBL2833638

SCHEMBL2833638

COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CO)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.46
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HTR7 P34969 2/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ PAX8 Q06710 1/20 0.42
▸ BDKRB1 P46663 1/20 0.41
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ LOX P28300 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
SCHEMBL2833643 1.00 CNR2 (0.46) CNR2RAB9ANPC1HTR7TMEM97
SCHEMBL639832 0.96 CNR2 (0.43) CNR2RAB9ANPC1HTR7TMEM97
SCHEMBL3313366 0.96 CNR2 (0.43) CNR2RAB9ANPC1HTR7TMEM97
SCHEMBL5088451 0.88 HTR7 (0.43) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL10246104 0.86 NPC1 (0.43) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL2934286 0.85 HTR7 (0.40) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL639859 0.84 NPC1 (0.42) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL640463 0.84 RAB9A (0.41) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL4399065 0.83 EBP (0.49) CNR2NPC1
SCHEMBL3441446 0.83 RAB9A (0.43) RAB9ANPC1PAX8BDKRB1HCRTR1

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 10 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-8268814-B2 Substituted sulfonamide 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-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
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 — — US disclosed
WO-2007101007-A2 ARYL SULFONYL HETEROCYCLES NEUROGEN CORPORATION (US) 2007-09-07 — — 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 (2 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 CNR2 1149/4885RAB9A 134/4885NPC1 4369/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 CNR2 16/4885RAB9A 3216/4885NPC1 2411/4885

“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.