SCHEMBL795685

SCHEMBL795685

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.79
CTSS P25774 3/20 0.70
CTSK P43235 2/20 0.70
CTSL P07711 1/20 0.70
CTSB P07858 1/20 0.70
PPARA Q07869 5/20 0.64
PPARG P37231 4/20 0.64
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
APP P05067 1/20 0.62
ATM Q13315 2/20 0.61
AKT1 P31749 1/20 0.60
MAPK1 P28482 1/20 0.60
PPARD Q03181 2/20 0.58
KMT2A Q03164 1/20 0.58
PTPN1 P18031 1/20 0.58

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
SCHEMBL606309 1.00 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL27909397 1.00 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL21473784 1.00 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL67020 1.00 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL66220 1.00 ACE (0.79) ACECTSSCTSKCTSLCTSB
SCHEMBL29707278 0.98 ACE (0.77) ACECTSSCTSKCTSLCTSB
Water SCHEMBL15362012 0.98 ACE (0.77) ACECTSSCTSKCTSLCTSB
Water SCHEMBL15362013 0.98 ACE (0.77) ACECTSSCTSKCTSLCTSB
SCHEMBL26654474 0.98 ACE (0.77) ACECTSSCTSKCTSLCTSB
SCHEMBL26654472 0.98 ACE (0.77) ACECTSSCTSKCTSLCTSB

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-20160354346-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS ALLERGAN, INC. 2016-12-08 US disclosed
US-20150148394-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS ALLERGAN INC (US) 2015-05-28 US disclosed
US-8853251-B2 Ester pro-drugs of [3-(1-(1H-imidazol-4-YL)ethyl)-2-methylphenyl] methanol for treating retinal diseases ALLERGAN, INC. (US) 2014-10-07 US disclosed
US-20140057958-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES ALLERGAN, INC. (US) 2014-02-27 US disclosed
US-8653123-B2 Ester pro-drugs of [3-(1-(1H-imidazol-4-yl)ethyl)-2-methylphenyl] methanol for treating retinal diseases ALLERGAN, INC. (US) 2014-02-18 US disclosed
US-20130296394-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS ALLERGAN, INC. (US) 2013-11-07 US disclosed
US-20130289088-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-10-31 US disclosed
EP-2616069-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL]METHANOL Allergan, Inc. (US) 2013-07-24 EP disclosed
EP-2616067-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL]METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS Allergan, Inc. (US) 2013-07-24 EP disclosed
EP-2616068-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL]METHANOL FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2013-07-24 EP disclosed
US-20120149746-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES ALLERGAN, INC. (US) 2012-06-14 US disclosed
US-20120142746-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120136036-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS ALLERGAN, INC. (US) 2012-05-31 US disclosed
US-20120122945-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN, INC. (US) 2012-05-17 US disclosed
WO-2012037499-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN, INC. (US) 2012-03-22 WO disclosed
WO-2012037484-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS ALLERGAN, INC. (US) 2012-03-22 WO disclosed
WO-2012037490-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2012-03-22 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 (9 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-20160354346-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS TYR, EBP, CUTA ACE 862/4885CTSS 1989/4885CTSK 1072/4885
US-20130289088-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR LOWERING INTRAOCULAR PRESSURE REN, CYP11B2, PDE3A ACE 52/4885CTSS 3613/4885CTSK 1774/4885
US-20140057958-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES PDE6D, ALDH1A2, PDE6A ACE 1093/4885CTSS 2888/4885CTSK 1702/4885
US-20120142746-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR LOWERING INTRAOCULAR PRESSURE REN, CYP11B2, PDE3A ACE 52/4885CTSS 3613/4885CTSK 1774/4885
US-20120136036-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS TYR, EBP, CUTA ACE 862/4885CTSS 1989/4885CTSK 1072/4885
US-20130296394-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS TYR, EBP, CUTA ACE 862/4885CTSS 1989/4885CTSK 1072/4885
US-20150148394-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS TYR, EBP, CUTA ACE 862/4885CTSS 1989/4885CTSK 1072/4885
US-20120149746-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES PDE6D, ALDH1A2, PDE6A ACE 1093/4885CTSS 2888/4885CTSK 1702/4885
US-20120122945-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ADRB3, ADRB1, ADRB2 ACE 317/4885CTSS 2554/4885CTSK 2314/4885

“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.