SCHEMBL1140105

SCHEMBL1140105

C=CCS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CTSK P43235 1/20 0.34
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ PSIP1 O75475 1/20 0.31
▸ PLCG1 P19174 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL4106449 0.84 HTT (0.47) PNMTALDH1A1MEN1LMNAMAPT
SCHEMBL140625 0.78 PSIP1 (0.54) PNMTALDH1A1MEN1LMNAMAPT
Benzene SCHEMBL28057885 0.78 PSIP1 (0.54) PNMTALDH1A1MEN1LMNAMAPT
SCHEMBL7780440 0.77 PNMT (0.37) PNMTALDH1A1MEN1LMNAMAPT
Ethylene SCHEMBL27737865 0.77 PSIP1 (0.52) PNMTALDH1A1MEN1LMNAMAPT
SCHEMBL27851864 0.76 CTSK (0.37) CTSK
SCHEMBL2148798 0.75 GAA (0.55) PNMTALDH1A1MEN1LMNAKMT2A
SCHEMBL10524502 0.75 CA2 (0.52) PNMTALDH1A1MEN1LMNAMAPT
SCHEMBL3626870 0.75 CTSK (0.59) PNMTALDH1A1MEN1MAPTKMT2A
SCHEMBL13183908 0.75 PLCG1 (0.59) PNMTALDH1A1MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF BEIJING SONGRUN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-10-12 — — US claimed
CN-116685325-A Combination therapy of a PD-1 axis binding antagonist and an LRRK2 inhibitor 豪夫迈·罗氏有限公司 2023-09-01 — — CN claimed
EP-4232040-A1 COMBINATION THERAPY OF PD-1 AXIS BINDING ANTAGONISTS AND LRRK2 INHITIBORS F. Hoffmann-La Roche AG (CH) 2023-08-30 — — EP claimed
EP-4201941-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF Beijing Songrun Pharmaceutical Technology Co., Ltd. (CN) 2023-06-28 — — EP claimed
WO-2022084210-A1 COMBINATION THERAPY OF PD-1 AXIS BINDING ANTAGONISTS AND LRRK2 INHITIBORS F. HOFFMANN-LA ROCHE AG (CH) 2022-04-28 — — WO claimed
EP-3943497-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS CB2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2022-01-26 — — EP claimed
EP-3483163-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS CB2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2021-06-23 — — EP claimed
EP-3172264-B1 NOVEL POLYMERS CONTAINING GRAFTED BIS(SULFONYL)IMIDE SODIUM OR LITHIUM SALTS TO THE METHODS FOR THE PRODUCTION THEREOF, AND TO THE USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2021-06-16 — — EP claimed
EP-3172259-B1 NOVEL POLYMERS CONTAINING SULPHONAMIDE SODIUM OR LITHIUM SALTS, PRODUCTION METHODS THEREOF AND USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2021-05-19 — — EP claimed
CN-107001622-B Novel polymers containing grafted sodium or lithium bis (sulfonyl) imide salts, method for the production thereof and use thereof as battery electrolytes CDP创新公司 2020-01-07 — — CN claimed
US-4400395-A ANTI-ARTHRITIC,-CARCINOGENIC,-SEROTONIN,-HISTAMINE AGENTS; HYPOTENSIVES MERCK & CO., INC. (US) 1983-08-23 — — US claimed
US-4332813-A Allylsulfoxide enzyme inhibitors MERCK & CO., INC. (US) 1982-06-01 — — US claimed
US-4293306-A Process for the dyeing and printing of hydrophobic synthetic organic fiber materials with water-insoluble azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-06 — — US claimed
EP-0024639-A1 Organic sulfoxides having a latent allyl group, process for preparing the same and pharmaceutical enzyme inhibiting composition comprising the same MERCK & CO. INC. (US) 1981-03-11 — — EP claimed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US claimed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 — — US claimed
US-4115448-A Carbamylguanidine antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-09-19 — — US claimed
US-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 — — US claimed
US-4057642-A ANTIINFLAMMATORY, RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 — — US claimed
US-4022962-A DENTAL PLAQUE INHIBITORS COOPER LABORATORIES, INC. (US) 1977-05-10 — — US claimed

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-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF PSMB11, PSMB7, PSMC5 PNMT 4615/4885ALDH1A1 2816/4885MEN1 1052/4885

“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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