SCHEMBL45391

SCHEMBL45391

Cc1cccc2c1C(S(=O)(=O)O)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.35
MYC P01106 1/20 0.34
PBRM1 Q86U86 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ELANE P08246 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL3165966 0.80 TTR (0.35) EDNRBEDNRAPOLBMYCCA1
SCHEMBL29945031 0.80 NCOR2 (0.42) EDNRBEDNRAKMT2AMEN1POLB
SCHEMBL2319486 0.80 NCOR2 (0.42) EDNRBEDNRAKMT2AMEN1POLB
SCHEMBL5818114 0.76 CA1 (0.33) CA1CA2
SCHEMBL6888962 0.76 TSHR (0.45) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL11783880 0.74 HTR2B (0.51) HTR7HTR2BKMT2AMEN1ATM
SCHEMBL8697389 0.74 AKR1B1 (0.41)
SCHEMBL5917355 0.74 CA1 (0.32) LMNACA1CA2KDM4E
SCHEMBL2587914 0.74 PPIA (0.40) KMT2AALDH1A1
SCHEMBL1683233 0.73 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 EP claimed
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 EP claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 CN disclosed
CN-114085243-B Pyrrolo [1,2-f ] [1,2,4] triazines useful for the treatment of respiratory syncytial virus infection 吉利德科学公司 2024-04-26 CN disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
WO-2023215335-A1 FUNCTIONALIZED PSYCHOACTIVE COMPOUNDS LUCY SCIENTIFIC DISCOVERY (CA) 2023-11-09 WO disclosed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP disclosed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US disclosed
US-5463062-A Inhibitors of glucose-6-phosphatase system HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0672660-A2 Substituted cyclohexanol-esters, their use to treat illnesses and pharmaceutical preparations HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0671392-A1 Substituted propane derivatives, process for their preparation and use of the compounds for the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-13 EP disclosed
EP-0620225-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-10-19 EP disclosed
EP-0587088-A1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-16 EP disclosed
WO-1990000551-A1 PROCESS FOR THE PREPARATION OF QUINOLINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1990-01-25 WO disclosed
EP-0350950-A1 Process for the preparation of quinoline antibacterial compounds ABBOTT LABORATORIES (US) 1990-01-17 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 (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-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 HTR7 4113/4885HTR2B 3508/4885EDNRB 1486/4885

“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.