Sugi Predict

Sugi Predict / Compounds / SCHEMBL1903514

SCHEMBL1903514

SCHEMBL1903514

CCNc1ccccc1C(=O)OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.70
▸ GLA P06280 1/20 0.70
▸ GAA P10253 3/20 0.66
▸ POLB P06746 1/20 0.65
▸ ATM Q13315 1/20 0.65
▸ KMT2A Q03164 2/20 0.64
▸ MAPT P10636 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ ALDH1A1 P00352 8/20 0.57
▸ HTT P42858 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HSD17B10 Q99714 5/20 0.54
▸ ADRA1D P25100 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ ADRA1B P35368 1/20 0.54
▸ TSHR P16473 3/20 0.53

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
Hydrochloric Acid SCHEMBL27603991 0.98 KDM4E (0.68) KDM4EGLAGAAPOLBATM
SCHEMBL6318031 0.87 KDM4E (0.72) KDM4EGLAGAAPOLBATM
SCHEMBL1460556 0.86 TSHR (0.67) KDM4EGAAKMT2AALDH1A1HTT
SCHEMBL7819029 0.86 KDM4E (0.76) KDM4EGLAGAAPOLBATM
Methyl Salicylate SCHEMBL4644673 0.85 LMNA (0.63) KDM4EGLAGAAPOLBATM
Hydrochloric Acid SCHEMBL6383958 0.84 TSHR (0.65) KDM4EGAAKMT2AALDH1A1HTT
SCHEMBL4839338 0.84 KDM4E (0.68) KDM4EGLAGAAPOLBATM
SCHEMBL28672732 0.83 KDM4E (0.71) KDM4EGLAGAAPOLBATM
SCHEMBL6197980 0.83 ADRA1A (0.57) KDM4EGLAGAAPOLBATM
SCHEMBL15670749 0.83 GAA (0.51) KDM4EGLAGAAPOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220174999-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-06-09 — — US claimed
WO-2020221442-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-11-05 — — WO claimed
US-20200288758-A1 Improvements Relating to Organic Flavour Compounds GIVAUDAN S.A. (CH) 2020-09-17 — — US claimed
EP-3703512-A1 IMPROVEMENTS RELATING TO ORGANIC FLAVOUR COMPOUNDS Givaudan SA (CH) 2020-09-09 — — EP claimed
CN-111295100-A Improvements relating to organic fragrance compounds 奇华顿股份有限公司 2020-06-16 — — CN claimed
CN-117263908-A Preparation of 1-pyridylpyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-22 — — CN disclosed
CN-116120285-A Heterocyclic compound, preparation method and application thereof 武汉人福创新药物研发中心有限公司 2023-05-16 — — CN disclosed
CN-113768936-B Application of evodiamine derivative in preparation of medicine for treating superficial fungal infection 南华大学 2023-04-14 — — CN disclosed
US-20220174999-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-06-09 — — US disclosed
CN-113768936-A Application of evodiamine derivative in preparation of medicine for treating superficial fungal infection 南华大学 2021-12-10 — — CN disclosed
WO-2020221442-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-11-05 — — WO disclosed
US-20200288758-A1 Improvements Relating to Organic Flavour Compounds GIVAUDAN S.A. (CH) 2020-09-17 — — US disclosed
US-20050032746-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. 2005-02-10 — — US disclosed
US-6825221-B2 PROSTAGLANDIN INHIBITORS FOR TREATING RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POST-OPERATIVE PAIN, PAIN ASSOCIATED WITH DENTAL ALLERGAN, INC. 2004-11-30 — — US disclosed
EP-1436264-A1 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN Allergan, Inc. (US) 2004-07-14 — — EP disclosed
US-20040127747-A1 Synthesis of mono-N-substituted functionalized anilines CONSORZIO INTERUNIVERSITARIO NAZIONALE "LA CHIMICA PER L'AMBIENTE" 2004-07-01 — — US disclosed
EP-1431274-A1 Synthesis of mono-N-substituted functionalized anilines Consorzio Interuniversitario Nazionale "La Chimica Per L'Ambiente" (IT) 2004-06-23 — — EP disclosed
CN-1468298-A Compositions for treating shoes and methods and articles employing same — 2004-01-14 — — CN disclosed
US-20030078236-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. 2003-04-24 — — US disclosed
WO-2003033470-A1 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN ALLERGAN, INC. (US) 2003-04-24 — — 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 (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-20040127747-A1 Synthesis of mono-N-substituted functionalized anilines AS3MT, DNMT3L, DNMT3A KDM4E 185/4885GLA 3080/4885GAA 1819/4885
US-20050032746-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRL1, OPRK1, OPRD1 KDM4E 1642/4885GLA 3046/4885GAA 3530/4885
US-20030078236-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRD1, OPRK1, OPRL1 KDM4E 2236/4885GLA 2761/4885GAA 3274/4885

“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.