Sugi Predict

Sugi Predict / Compounds / SCHEMBL539733

SCHEMBL539733

SCHEMBL539733

CC(=O)Oc1cccc(C(=O)Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ACHE P22303 1/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ELANE P08246 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46

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
SCHEMBL30239922 0.85 LMNA (0.63) LMNACYP3A4MEN1KMT2AACHE
SCHEMBL16952895 0.85 LMNA (0.63) LMNACYP3A4MEN1KMT2AACHE
SCHEMBL3141164 0.85 LMNA (0.63) LMNACYP3A4MEN1KMT2AACHE
SCHEMBL809319 0.84 ELANE (0.53) LMNACYP3A4MEN1KMT2AACHE
SCHEMBL258461 0.83 LMNA (0.68) LMNACYP3A4MEN1KMT2AACHE
SCHEMBL29492631 0.83 LMNA (0.68) LMNACYP3A4MEN1KMT2AACHE
SCHEMBL28466125 0.83 LMNA (0.61) LMNACYP3A4MEN1KMT2AACHE
SCHEMBL30437873 0.83 ELANE (0.54) LMNACYP3A4MEN1KMT2AACHE
SCHEMBL21526665 0.83 ELANE (0.54) LMNACYP3A4MEN1KMT2AACHE
SCHEMBL18084829 0.82 GAPDH (0.49) LMNACYP3A4MEN1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof XIAMEN UNIVERSITY (CN) 2022-05-03 — — US disclosed
EP-3647313-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xiamen University (CN) 2020-05-06 — — EP disclosed
US-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-04-23 — — US disclosed
US-10577360-B2 Arylamide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-03-03 — — US disclosed
US-20190127357-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-02 — — US disclosed
EP-3442960-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-02-20 — — EP disclosed
WO-2017178510-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-10-19 — — WO disclosed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US disclosed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US disclosed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US disclosed
US-4556413-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1985-12-03 — — US disclosed
EP-0109575-A2 Benzoic-acid derivatives, process and means for its production F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-30 — — EP disclosed
US-RE30812-E ANTIARRHTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-01 — — US disclosed
US-RE30811-E SEROTONIN ANTAGONISTS, ANTIARRHYTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-01 — — US disclosed
US-4064254-A ANTIARRHYTHMIC AND ANTISEROTONINE AGENTS MEAD JOHNSON & COMPANY (US) 1977-12-20 — — US disclosed
US-4047931-A 3-ACETOXYBENZOIC ACID-(2'-IODOETHYL) ESTER CIBA-GEIGY CORPORATION (US) 1977-09-13 — — US disclosed
US-4000143-A ANTIARRHYTHMIC AND ANTISEROTONIN AGENTS MEAD JOHNSON & COMPANY (US) 1976-12-28 — — US disclosed
US-3944411-A Halogenoethyl esters of aromatic carboxylic acids as fruit abscission agents CIBA-GEIGY CORPORATION (US) 1976-03-16 — — US disclosed
US-3940407-A β-Adrenergic blocking agents in the 1,2,3-thiadiazole series SYNTEX (U.S.A.) INC. (US) 1976-02-24 — — US disclosed
US-3931195-A ANTIARRHYTHMIA, ANTISEROTONIN MEAD JOHNSON & COMPANY (US) 1976-01-06 — — US 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-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF CYP4A11, CYP2D6, CYP3A43 LMNA 1474/4885CYP3A4 17/4885MEN1 1374/4885
US-10577360-B2 Arylamide derivatives having multimodal activity against pain OPRD1, TRPV1, OPRL1 LMNA 3324/4885CYP3A4 1023/4885MEN1 4873/4885
US-20190127357-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, TRPV1, OPRL1 LMNA 3324/4885CYP3A4 1023/4885MEN1 4873/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 LMNA 1474/4885CYP3A4 17/4885MEN1 1374/4885

“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.