SCHEMBL730014

SCHEMBL730014

Fc1cccc2c(Br)coc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.34
PSMB8 P28062 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL25824617 0.80 LOXL2 (0.36)
SCHEMBL289276 0.75 PSMB5 (0.34) PSMB5PSMB8
SCHEMBL16533399 0.75 PSMB5 (0.34) PSMB5PSMB8
SCHEMBL31042121 0.75 CES2 (0.30)
SCHEMBL289277 0.75 ACHE (0.39) PSMB5PSMB8
SCHEMBL31426304 0.75 LOXL2 (0.33)
SCHEMBL30395048 0.75 ACHE (0.39) PSMB5PSMB8
SCHEMBL25027565 0.75 CYP1A2 (0.42) PSMB5PSMB8
SCHEMBL21227900 0.75 MAOA (0.38) CA1CA2
SCHEMBL29144466 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724127-B Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2023-02-17 CN disclosed
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
CN-114829357-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2022-07-29 CN disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
CN-112724127-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2021-04-30 CN disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
US-6465485-B1 SUCH AS 7-CYANO-2-(2-(1-(4-(2-INDOLYL)CARBOXAMIDO)CYCLO-HEXYL)ETHYL)-1,2,3,4 -TETRAHYDROISOQUINOLINE; ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-15 US disclosed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 WO disclosed
EP-0983244-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-08 EP disclosed
WO-1998050364-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
EP-0355827-B1 Hydantoin derivatives MOCHIDA PHARM CO LTD (JP) 1997-01-02 EP disclosed
US-RE35279-E ALDOSE REDUCTASE INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
US-5202339-A Hypoglycemic, hypolipedemic agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
US-5004751-A Antidiabetic agents; aldoe reductase inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-04-02 US disclosed
WO-1990002126-A1 HYDANTOIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-03-08 WO disclosed
EP-0355827-A2 Hydantoin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 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 (3 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-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 PSMB5 1078/4885PSMB8 1731/4885CA12 2467/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PSMB5 3295/4885PSMB8 2863/4885CA12 4108/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PSMB5 3295/4885PSMB8 2863/4885CA12 4108/4885

“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.