Sugi Predict

Sugi Predict / Compounds / SCHEMBL3684343

SCHEMBL3684343

SCHEMBL3684343

Cc1ccc(O)c(O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.44
▸ CYP3A4 P08684 3/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ ESR2 Q92731 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL901691 0.83 ALDH1A1 (0.48) TRPA1CYP3A4ALOX15CHRM1MAOA
SCHEMBL9849381 0.81 CYP3A4 (0.55) TRPA1CYP3A4ALOX15MAPK1CHRM1
SCHEMBL3787501 0.79 CYP3A4 (0.46) TRPA1CYP3A4ALOX15MAPK1CHRM1
SCHEMBL29735281 0.79 ALDH1A1 (0.45) TRPA1CYP3A4ALOX15MAPK1CHRM1
SCHEMBL3032868 0.79 ALDH1A1 (0.41) TRPA1CYP3A4ALOX15MAPK1CHRM1
SCHEMBL768320 0.79 ALDH1A1 (0.45) TRPA1CYP3A4ALOX15MAPK1CHRM1
SCHEMBL6182858 0.77 MAPK1 (0.55) CYP3A4ALOX15MAPK1TDP1ALDH1A1
SCHEMBL3790991 0.75 ALDH1A1 (0.47) CYP3A4ALOX15MAPK1CHRM1MAOA
SCHEMBL13127020 0.75 CYP3A4 (0.37) TRPA1CYP3A4ALOX15MAPK1CHRM1
SCHEMBL736924 0.75 CYP3A4 (0.38) CYP3A4ALOX15CHRM1MAOATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4074709-A1 MONOCYCLIC BETA-LACTAM COMPOUND AND USE THEREOF Evopoint Biosciences Co., Ltd. (CN) 2022-10-19 — — EP disclosed
WO-2021115444-A1 MONOCYCLIC β-LACTAM COMPOUND AND USE THEREOF 苏州信诺维医药科技股份有限公司 2021-06-17 — — WO disclosed
WO-2020132603-A2 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-06-25 — — WO disclosed
EP-3318567-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL Shionogi & Co., Ltd (JP) 2018-05-09 — — EP disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 — — US disclosed
US-9334289-B2 Cephem compound having catechol or pseudo-catechol structure SHIONOGI & CO., LTD. (JP) 2016-05-10 — — US disclosed
US-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 — — US disclosed
US-9242999-B2 Cephem compound having pyridinium group SHIONOGI & CO., LTD. (JP) 2016-01-26 — — US disclosed
US-9238657-B2 Cephalosporin having catechol group SHIONOGI & CO., LTD. (JP) 2016-01-19 — — US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 — — US disclosed
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE SHIONOGI & CO., LTD. (JP) 2014-03-27 — — US disclosed
EP-2703406-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE Shionogi & Co., Ltd. (JP) 2014-03-05 — — EP disclosed
US-7820862-B2 Ligand, method for producing the same, and catalyst using the ligand THE UNIVERSITY OF TOKYO (JP) 2010-10-26 — — US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
US-20090023579-A1 Ligand, Method for Producing the Same, and Catalyst Using the Ligand THE UNIVERSITY OF TOKYO (JP) 2009-01-22 — — US disclosed
EP-1995250-A1 LIGAND, METHOD FOR PRODUCING THE SAME, AND CATALYST USING THE LIGAND The University of Tokyo (JP) 2008-11-26 — — EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP disclosed
US-6759435-B1 SUCH AS METHYL-(1-(2-(1-PHENYL-ETHYL)-PHENYL)-ETHYL)-AMINE; SEROTONIN REUPTAKE INHIBITORS A.P. Group Inc. 2004-07-06 — — US disclosed
US-4959374-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, GLAUCOMA, HYPERGLYCEMIC AGENTS, ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1990-09-25 — — US disclosed
EP-0238753-A1 N-substituted condensed polymethylene imine derivatives BEECHAM GROUP PLC (GB) 1987-09-30 — — 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 (5 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-20090023579-A1 Ligand, Method for Producing the Same, and Catalyst Using the Ligand CHRM1, CHRM2, B3GNT2 TRPA1 3633/4885CYP3A4 431/4885ALOX15 3636/4885
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE COMT, CMBL, CEP170 TRPA1 4213/4885CYP3A4 624/4885ALOX15 3093/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TRPA1 762/4885CYP3A4 177/4885ALOX15 1941/4885
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL TRPA1 3612/4885CYP3A4 315/4885ALOX15 4255/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 TRPA1 3156/4885CYP3A4 1980/4885ALOX15 4566/4885

“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.