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SCHEMBL7006375

SCHEMBL7006375

Cc1ccc(S(=O)(=O)N2Cc3ccc(Br)cc3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.57
▸ PKM P14618 3/20 0.50
▸ THRB P10828 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ AKR1C3 P42330 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ RYR2 Q92736 1/20 0.44

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
SCHEMBL2590065 0.89 AKR1C3 (0.60) PKMTHRBAKR1C3KMT2AMEN1
SCHEMBL11773546 0.85 PKM (0.61) HDAC1PKMALDH1A1POLBHTT
SCHEMBL25422392 0.85 HDAC1 (0.46) HDAC1PKMTHRBALDH1A1POLB
SCHEMBL13171923 0.85 KCNN4 (0.46) HDAC1PKMTHRBALDH1A1POLB
SCHEMBL9757210 0.82 HDAC1 (0.54) HDAC1PKMTHRBALDH1A1POLB
SCHEMBL382362 0.82 HDAC1 (0.54) HDAC1PKMALDH1A1POLBHTT
SCHEMBL14640610 0.81 RYR2 (0.65) HDAC1PKMHTTAKR1C3KMT2A
SCHEMBL5708819 0.80 GAA (0.62) PKMALDH1A1POLBHTTKMT2A
SCHEMBL7497005 0.79 HDAC1 (0.49) HDAC1PKMALDH1A1POLBHTT
SCHEMBL6669905 0.79 PKM (0.44) HDAC1PKMTHRBALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414435-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-08-16 — — US disclosed
US-20200317698-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 — — US disclosed
EP-2943204-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2019-03-13 — — EP disclosed
US-10125152-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-11-13 — — US disclosed
US-10093685-B2 — — 2018-10-09 — — US disclosed
US-20170342093-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 — — US disclosed
US-9771382-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-09-26 — — US disclosed
US-20160304539-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 — — US disclosed
US-9403850-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2016-08-02 — — US disclosed
US-9376454-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2016-06-28 — — US disclosed
WO-2014110442-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2014-07-17 — — WO disclosed
US-20140194386-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-07-10 — — US disclosed
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 — — EP disclosed
EP-0882725-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-12-18 — — EP disclosed
US-6025370-A METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS TOYAMA CHEMICAL CO., LTD. (JP) 2000-02-15 — — US disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 — — US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 — — EP disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 — — EP disclosed
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 — — US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 — — EP 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 (7 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-20170342093-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT HDAC1 1540/4885PKM 2485/4885THRB 2487/4885
US-10093685-B2 — MRPL21, GAA, MGAM HDAC1 1129/4885PKM 2032/4885THRB 2859/4885
US-10125152-B2 Beta-lactamase inhibitors MGAM, GAA, LCT HDAC1 1540/4885PKM 2485/4885THRB 2487/4885
US-20200317698-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT HDAC1 1540/4885PKM 2485/4885THRB 2487/4885
US-20140194386-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT HDAC1 1540/4885PKM 2485/4885THRB 2487/4885
US-11414435-B2 Beta-lactamase inhibitors MGAM, GAA, LCT HDAC1 1540/4885PKM 2485/4885THRB 2487/4885
US-20160304539-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT HDAC1 1540/4885PKM 2485/4885THRB 2487/4885

“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.