Sugi Predict

Sugi Predict / Compounds / SCHEMBL1701896

SCHEMBL1701896

SCHEMBL1701896

COc1ccc(CC(N)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.56
▸ LAP3 P28838 1/20 0.56
▸ LDHA P00338 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ ATM Q13315 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SLC15A1 P46059 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ALPI P09923 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ XIAP P98170 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ FABP7 O15540 1/20 0.49
▸ FABP5 Q01469 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ CTSL P07711 1/20 0.47
▸ CTSS P25774 1/20 0.47

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
SCHEMBL7270126 1.00 LTA4H (0.56) LTA4HLAP3LDHAPPARGPPARA
SCHEMBL6436841 1.00 LTA4H (0.56) LTA4HLAP3LDHAPPARGPPARA
SCHEMBL8907360 1.00 LTA4H (0.56) LTA4HLAP3LDHAPPARGPPARA
SCHEMBL8907592 1.00 LTA4H (0.56) LTA4HLAP3LDHAPPARGPPARA
SCHEMBL15634364 1.00 LTA4H (0.56) LTA4HLAP3LDHAPPARGPPARA
Hydrochloric Acid SCHEMBL6436839 0.99 LTA4H (0.55) LTA4HLAP3LDHAPPARGPPARA
Hydrochloric Acid SCHEMBL6436832 0.99 LTA4H (0.55) LTA4HLAP3LDHAPPARGPPARA
SCHEMBL8033635 0.96 LTA4H (0.53) LTA4HLAP3LDHAPPARGPPARA
Hydrochloric Acid SCHEMBL8033631 0.95 LTA4H (0.52) LTA4HLAP3LDHAPPARGPPARA
SCHEMBL7360502 0.89 LTA4H (0.50) LTA4HLAP3LDHAPPARGPPARA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSTY 2023-01-26 — — US disclosed
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-01-26 — — US disclosed
US-9657058-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2017-05-23 — — US disclosed
US-9657058-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2017-05-23 — — US disclosed
US-20150353601-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2015-12-10 — — US disclosed
US-8765745-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-07-01 — — US disclosed
US-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-03-20 — — US disclosed
US-20130053303-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-02-28 — — US disclosed
US-8357683-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2013-01-22 — — US disclosed
US-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-12 — — US disclosed
US-8080545-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 — — US disclosed
US-8080576-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 — — US disclosed
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 — — US disclosed
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 — — US disclosed
CN-1088456-C Substituted oxazolidine calpain and/or cathepsin B inhibitors ARWENTTICE PHARMACEUTICAL INC (US) 2002-07-31 — — CN disclosed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 — — US disclosed
CN-1173174-A Substituted oxazolidine calpain and/or cathepsin B inhibitors HOECHST MARION ROUSSEL INC (US) 1998-02-11 — — CN 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 (8 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-20130053303-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LTA4H 897/4885LAP3 286/4885LDHA 3817/4885
US-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LTA4H 897/4885LAP3 286/4885LDHA 3817/4885
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH LRBA, HADHA, IMPDH1 LTA4H 421/4885LAP3 2432/4885LDHA 428/4885
US-20150353601-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LTA4H 897/4885LAP3 286/4885LDHA 3817/4885
US-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LTA4H 897/4885LAP3 286/4885LDHA 3817/4885
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE HADHA, IMPDH1, CYP27A1 LTA4H 543/4885LAP3 2161/4885LDHA 459/4885
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LTA4H 897/4885LAP3 286/4885LDHA 3817/4885
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LTA4H 897/4885LAP3 286/4885LDHA 3817/4885

“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.