SCHEMBL8122557

SCHEMBL8122557

Bc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.56
▸ PTGS2 P35354 9/20 0.46

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
Water SCHEMBL27483474 0.97 ENPP2 (0.54) ENPP2PTGS2
SCHEMBL2376239 0.85 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL10300269 0.77 PTGS2 (0.62) ENPP2PTGS2
SCHEMBL21627142 0.77 ALDH1A1 (0.52) —
SCHEMBL17548700 0.77 ENPP2 (0.62) ENPP2PTGS2
SCHEMBL7677302 0.77 PTGS2 (0.62) ENPP2PTGS2
Bromide SCHEMBL28502358 0.76 ENPP2 (0.54) ENPP2PTGS2
SCHEMBL12807 0.74 GAA (0.65) ENPP2PTGS2
SCHEMBL28182477 0.74 GAA (0.65) ENPP2PTGS2
SCHEMBL517832 0.74 ENPP2 (0.59) ENPP2PTGS2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113330001-A 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same 柳韩洋行 2021-08-31 — — CN disclosed
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 — — WO disclosed
EP-3214079-B1 SIX-MEMBERED RING BENZO DERIVATIVES AS DPP-4 INHIBITOR AND USE THEREOF UNIV EAST CHINA SCIENCE & TECH (CN) 2020-06-24 — — EP disclosed
WO-2019190117-A1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 한림제약(주) 2019-10-03 — — WO disclosed
CN-109415381-A Thiazolopyridine derivatives as GPR119 agonist 人类制药有限公司 2019-03-01 — — CN disclosed
CN-109415359-A heterocyclic GPR119 agonist compounds 人类制药有限公司 2019-03-01 — — CN disclosed
CN-107922407-A Respiratory Syncytial Virus(RSV) inhibitor 美迪维尔公司 2018-04-17 — — CN disclosed
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 — — EP disclosed
EP-3214079-A1 SIX-MEMBERED RING BENZO DERIVATIVES AS DPP-4 INHIBITOR AND USE THEREOF East China University Of Science And Technology (CN) 2017-09-06 — — EP disclosed
WO-2017117529-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 — — WO disclosed
US-20100090590-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD OF PRODUCING ORGANIC DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-15 — — US disclosed
US-20100045174-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-25 — — US disclosed
US-7638527-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-12-29 — — US disclosed
US-20090309070-A1 COMPOSITIONS FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-17 — — US disclosed
US-20090033208-A1 FILM FORMING COMPOSITION AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-02-05 — — US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 — — WO disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 — — EP disclosed
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use ADOLOR CORPORATION (US) 2008-05-01 — — US disclosed
EP-1511751-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS INC (US) 2008-03-19 — — EP disclosed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 — — 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-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use OPRK1, OPRD1, OPRL1 ENPP2 2264/4885PTGS2 397/4885

“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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