SCHEMBL616980

SCHEMBL616980

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Nc1ccc(Br)c[n+]1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 6/20 0.38
▸ F2 P00734 3/20 0.33
▸ PRSS1 P07477 3/20 0.33
▸ PRSS2 P07478 3/20 0.33
▸ PRSS3 P35030 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NSD2 O96028 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ P2RY1 P47900 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL30002890 1.00 RAPGEF4 (0.38) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL29360228 0.82 RAPGEF4 (0.37) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL9103439 0.82 RAPGEF4 (0.37) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL30888383 0.81 RAPGEF4 (0.36) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL27225358 0.81 RAPGEF4 (0.36) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL16599611 0.81 RAPGEF4 (0.36) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL28628697 0.80 RAPGEF4 (0.35) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL28658591 0.80 CYP1A2 (0.40) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL31716978 0.79 RAPGEF4 (0.39) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL30888439 0.79 RAPGEF4 (0.34) RAPGEF4F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022214519-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-10-13 — — WO disclosed
CN-109776522-B Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业有限公司 2020-12-29 — — CN disclosed
EP-3710006-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Sunshine Lake Pharma Co., Ltd. (CN) 2020-09-23 — — EP disclosed
US-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 — — US disclosed
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Northern Industrial Area, (CN) 2019-05-23 — — US disclosed
EP-3126336-B1 SUBSTITUTED FUSED HETEROCYCLES AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI SA (FR) 2018-12-05 — — EP disclosed
US-9758520-B2 Substituted fused heterocycles as GPR119 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2017-09-12 — — US disclosed
EP-3126336-A1 SUBSTITUTED FUSED HETEROCYCLES AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS Sanofi (FR) 2017-02-08 — — EP disclosed
US-20170022198-A1 SUBSTITUTED FUSED HETEROCYCLES AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI (FR) 2017-01-26 — — US disclosed
WO-2015150564-A1 SUBSTITUTED FUSED HETEROCYCLES AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI (FR) 2015-10-08 — — WO disclosed
US-8598163-B2 Derivatives of [1,3]Oxazin-2-one useful for the treatment of metabolic diseases such as lipid disorders VITAE PHARMACEUTICALS, INC. (US) 2013-12-03 — — US disclosed
EP-2393813-B1 Cyclic inhibitors of 11 ß-hydroxysteroid dehydrogenase 1 useful for the treatment of diseases related to elevated level of cortisol VITAE PHARMACEUTICALS INC (US) 2013-07-31 — — EP disclosed
US-20120040973-A1 DERIVATIVES OF [1,3]OXAZIN-2-ONE USEFUL FOR THE TREATMENT OF METABOLIC DISEASES SUCH AS LIPID DISORDERS VITAE PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
EP-2393813-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-12-14 — — EP disclosed
WO-2010091067-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-08-12 — — 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 (4 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-20120040973-A1 DERIVATIVES OF [1,3]OXAZIN-2-ONE USEFUL FOR THE TREATMENT OF METABOLIC DISEASES SUCH AS LIPID DISORDERS HSD11B1, HSD11B2, HSD17B1 RAPGEF4 4664/4885F2 4466/4885PRSS1 715/4885
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB RAPGEF4 972/4885F2 3966/4885PRSS1 1155/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB RAPGEF4 972/4885F2 3966/4885PRSS1 1155/4885
US-20170022198-A1 SUBSTITUTED FUSED HETEROCYCLES AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS GPR119, GPR65, GPR88 RAPGEF4 1302/4885F2 3972/4885PRSS1 2330/4885

“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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