Sugi Predict

Sugi Predict / Compounds / SCHEMBL2089137

SCHEMBL2089137

SCHEMBL2089137

O=CC=Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ XDH P47989 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PYGL P06737 8/20 0.47
▸ CHAT P28329 1/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47
▸ TRPA1 O75762 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KDM4A O75164 1/20 0.46
▸ KDM4B O94953 1/20 0.46
▸ GUSB P08236 1/20 0.42
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL3922988 1.00 ALDH1A1 (0.61) ALDH1A1XDHKDM4EMAPTPYGL
SCHEMBL28467646 0.92 ALDH1A1 (0.57) ALDH1A1XDHKDM4EMAPTPYGL
SCHEMBL11464283 0.86 ALDH1A1 (0.58) ALDH1A1PYGLCHATKDM4AKDM4B
SCHEMBL14990172 0.82 XDH (0.48) ALDH1A1XDHKDM4EMAPTPYGL
SCHEMBL18346009 0.82 XDH (0.48) ALDH1A1XDHKDM4EMAPTPYGL
SCHEMBL18346011 0.82 XDH (0.48) ALDH1A1XDHKDM4EMAPTPYGL
SCHEMBL18345531 0.82 XDH (0.48) ALDH1A1XDHKDM4EMAPTCHAT
SCHEMBL14143630 0.82 XDH (0.69) ALDH1A1XDHKDM4EMAPTCCNB2
SCHEMBL18346095 0.82 XDH (0.48) ALDH1A1XDHKDM4EMAPTPYGL
SCHEMBL14989926 0.82 XDH (0.48) ALDH1A1XDHKDM4EMAPTCHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942553-B Synthesis and conversion method of chiral 3,4, 6-trisubstituted tetrahydro 2H-pyran-2-one compound 大连理工大学 2020-09-29 — — CN disclosed
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 — — EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 — — US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 — — US disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 — — EP disclosed
WO-2016209635-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2016-12-29 — — WO disclosed
EP-3087072-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES Zoetis Services LLC (US) 2016-11-02 — — EP disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 — — US disclosed
WO-2015100232-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES ZOETIS SERVICES LLC (US) 2015-07-02 — — WO disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
US-4710513-A Substituted pyranone inhibitors of cholesterol synthesis MERCK & CO., INC. (US) 1987-12-01 — — US disclosed
US-4705807-A NERVOUS SYSTEM DISORDERS LILLY INDUSTRIES LIMITED (GB) 1987-11-10 — — US disclosed
EP-0206567-A2 Compounds of formula [1,1'-biphenyl]-2-carboxylic acid, 2'-[[[(substituted)phenyl]-(substituted)amino]carbonyl]-, pharmaceutical compositions comprising the compounds, and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1986-12-30 — — EP disclosed
US-4602023-A Diphenic acid monoamides WARNER-LAMBERT COMPANY (US) 1986-07-22 — — US disclosed
US-4588733-A 2-phenylpyrano[2,3-b]pyridines and their use in inhibiting viruses MERRELL DOW PHARMACEUTICALS INC. (US) 1986-05-13 — — US disclosed
EP-0178633-A2 2-phenylpyrano[2,3-b]pyridines MERRELL DOW PHARMACEUTICALS INC. (US) 1986-04-23 — — EP disclosed
US-4567289-A ANTICHOLESTEROL ANTILIPEMIC MERCK & CO., INC. (US) 1986-01-28 — — US disclosed
US-4459422-A Substituted pyranone inhibitors of cholesterol synthesis MERCK & CO., INC. (US) 1984-07-10 — — US disclosed
US-4375475-A ANTICHOLESTEROL AGENTS MERCK & CO., INC. (US) 1983-03-01 — — US disclosed
EP-0024348-A1 Substituted 6-Phenethyl-and phenylethenyl-3,4,5,6-tetrahydro-4-hydroxytetraydropyran-2-ones in the4-R trans stereoisomeric forms and the corresponding dihydroxy acids, process for preparing and pharmaceutical composition comprising them MERCK & CO. INC. (US) 1981-03-04 — — 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-20160296499-A1 Spiroindoline Antiparasitic Derivatives PKD2, PKD1, AVPR2 ALDH1A1 178/4885XDH 2187/4885KDM4E 3461/4885
US-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 ALDH1A1 381/4885XDH 2246/4885KDM4E 3087/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 ALDH1A1 334/4885XDH 2301/4885KDM4E 3549/4885

“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.