SCHEMBL3366853

SCHEMBL3366853

CCCCCc1ccc(C=CC(=O)Nc2cc(Cl)ccc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK2 O95069 1/20 1.00
▸ TRPM2 O94759 3/20 0.79
▸ CYSLTR2 Q9NS75 5/20 0.73
▸ CYSLTR1 Q9Y271 5/20 0.73
▸ TRPA1 O75762 2/20 0.73
▸ PLA2G1B P04054 1/20 0.73
▸ TRPM8 Q7Z2W7 1/20 0.73
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PLK1 P53350 4/20 0.51
▸ PLK3 Q9H4B4 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48

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
SCHEMBL3366850 1.00 KCNK2 (1.00) KCNK2TRPM2CYSLTR2CYSLTR1TRPA1
SCHEMBL29862876 1.00 KCNK2 (1.00) KCNK2TRPM2CYSLTR2CYSLTR1TRPA1
SCHEMBL6787369 0.90 KCNK2 (0.81) KCNK2TRPM2CYSLTR2CYSLTR1TRPA1
SCHEMBL6787364 0.90 KCNK2 (0.81) KCNK2TRPM2CYSLTR2CYSLTR1TRPA1
SCHEMBL28947494 0.88 TRPM2 (1.00) KCNK2TRPM2CYSLTR2CYSLTR1TRPA1
SCHEMBL28947495 0.88 TRPM2 (1.00) KCNK2TRPM2CYSLTR2CYSLTR1TRPA1
SCHEMBL16438113 0.87 KCNK2 (0.77) KCNK2TRPM2CYSLTR2CYSLTR1TRPA1
SCHEMBL29050647 0.86 CYSLTR2 (0.78) KCNK2TRPM2CYSLTR2CYSLTR1TRPA1
SCHEMBL30218660 0.84 CYSLTR2 (1.00) KCNK2TRPM2CYSLTR2CYSLTR1TRPA1
SCHEMBL1895053 0.84 CYSLTR2 (1.00) KCNK2TRPM2CYSLTR2CYSLTR1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114831977-A Application of benzoic acid derivatives as TRPM2 protein inhibitors 北京大学 2022-08-02 — — CN claimed
EP-1238099-A2 AUTOMATED LYSOPHOSPHOLIPID ASSAY AND METHODS OF DETECTING CANCER ABBOTT LABORATORIES (US) 2002-09-11 — — EP claimed
WO-2001032916-A2 AUTOMATED LYSOPHOSPHOLIPID ASSAY AND METHODS OF DETECTING CANCER ABBOTT LABORATORIES (US) 2001-05-10 — — WO claimed
CN-114831977-B Application of benzoic acid derivative as TRPM2 protein inhibitor 北京大学 2023-12-19 — — CN disclosed
CN-114831977-A Application of benzoic acid derivatives as TRPM2 protein inhibitors 北京大学 2022-08-02 — — CN disclosed
US-11077109-B2 Compounds having antibacterial activity and methods of use THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-08-03 — — US disclosed
US-20190201401-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AND METHODS OF USE THE TRUSTEES OF PRINCETON UNIVERSITY 2019-07-04 — — US disclosed
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NIH - DEITR 2015-04-09 — — US disclosed
WO-2013177492-A2 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NORTHEASTERN UNIVERSITY (US) 2013-11-28 — — WO disclosed
WO-2013151735-A1 METHOD TO MITIGATE LONG-QT ARRHYTHMIAS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-10 — — WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 — — US disclosed
EP-0702725-A4 METHOD FOR RECOMBINANT PRODUCTION OF BIOLOGICALLY ACTIVE POLYPEPTIDES JOLLA INST ALLERGY IMMUNOLOG (US) 1998-09-30 — — EP disclosed
US-5786168-A CULTURING EUKARYOTIC CELLS TRANSFORMED WITH POLYNUCLEOTIDE SEQUENCE ENCODING A FUSION POLYPEPTIDE KIRIN BEER KABUSHIKI KAISHA (JP) 1998-07-28 — — US disclosed
US-5723582-A IMMUNOLOGY AND AUTOIMMUNE DISEASES LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 1998-03-03 — — US disclosed
US-5565338-A Suppressor T-cell hybridoma and production of allergen specific glycosylation inhibiting factor LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 1996-10-15 — — US disclosed
EP-0702725-A1 METHOD FOR RECOMBINANT PRODUCTION OF BIOLOGICALLY ACTIVE POLYPEPTIDES LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 1996-03-27 — — EP disclosed
WO-1994026923-A1 METHOD FOR RECOMBINANT PRODUCTION OF BIOLOGICALLY ACTIVE POLYPEPTIDES LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 1994-11-24 — — WO disclosed
EP-0591320-A4 SUPPRESSOR T-CELL HYBRIDOMA. JOLLA INST ALLERGY IMMUNOLOG (US) 1994-11-23 — — EP disclosed
EP-0591320-A1 SUPPRESSOR T-CELL HYBRIDOMA LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 1994-04-13 — — EP disclosed
WO-1992021240-A1 SUPPRESSOR T-CELL HYBRIDOMA LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 1992-12-10 — — 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 (4 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KCNK2 1772/4885TRPM2 3142/4885CYSLTR2 3511/4885
US-20190201401-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AND METHODS OF USE MMP8, MRPL21, CLPP KCNK2 4452/4885TRPM2 1997/4885CYSLTR2 1959/4885
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF PNLIP, LIPE, LIPC KCNK2 4281/4885TRPM2 1955/4885CYSLTR2 1981/4885
US-11077109-B2 Compounds having antibacterial activity and methods of use MMP8, MRPL21, CLPP KCNK2 4452/4885TRPM2 1997/4885CYSLTR2 1959/4885

“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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