SCHEMBL1403910

SCHEMBL1403910

CS(=O)(=O)c1ccnc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ G6PD P11413 1/20 0.36
▸ IDE P14735 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ MET P08581 1/20 0.36
▸ AR P10275 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTR6 P50406 1/20 0.35

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
SCHEMBL31599666 1.00 PTGS1 (0.39) PTGS1PTGS2ROCK1SMN1; SMN2G6PD
SCHEMBL24669127 0.79 CA2 (0.48) ROCK1LMNAHTR6
SCHEMBL28157668 0.79 ALDH1A1 (0.39) SMN1; SMN2ARLMNAHTR6
SCHEMBL17694102 0.79 HRH4 (0.38) SMN1; SMN2HTR6
SCHEMBL10920036 0.77 ROCK1 (0.40) PTGS1PTGS2ROCK1SMN1; SMN2G6PD
SCHEMBL13801171 0.77 UHRF1 (0.48) PTGS2ROCK1SMN1; SMN2G6PDIDE
SCHEMBL5700299 0.76 SMN1; SMN2 (0.50) ROCK1SMN1; SMN2METLMNA
SCHEMBL30700822 0.75 PTGS2 (0.46) PTGS1PTGS2ROCK1LMNA
SCHEMBL16289399 0.75 ROCK1 (0.39) PTGS1PTGS2ROCK1SMN1; SMN2G6PD
SCHEMBL6883165 0.75 PTGS2 (0.46) PTGS1PTGS2ROCK1LMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110407742-A A method of preparing the bromo- 4- methylsulfonyl pyridine of 3- UNIV CHANGZHOU 2019-11-05 — — CN claimed
CN-110407742-A A method of preparing the bromo- 4- methylsulfonyl pyridine of 3- UNIV CHANGZHOU 2019-11-05 — — CN disclosed
CN-110407742-A A method of preparing the bromo- 4- methylsulfonyl pyridine of 3- UNIV CHANGZHOU 2019-11-05 — — CN disclosed
CN-110407742-A A method of preparing the bromo- 4- methylsulfonyl pyridine of 3- UNIV CHANGZHOU 2019-11-05 — — CN disclosed
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 — — EP disclosed
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 — — EP disclosed
US-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 — — US disclosed
US-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 — — US disclosed
US-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 — — US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 — — US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 — — US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 — — US disclosed
CN-102137856-A 2, 4' -bipyridine compounds as protein kinase D inhibitors useful for the treatment of IA heart failure and cancer NOVARTIS AG 2011-07-27 — — CN disclosed
CN-102026978-A Pyridine compounds HOFFMANN LA ROCHE 2011-04-20 — — CN disclosed
EP-2291371-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-03-09 — — EP disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 — — 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-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD11B2 PTGS1 227/4885PTGS2 1215/4885ROCK1 422/4885

“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.

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