SCHEMBL7018649

SCHEMBL7018649

CC(C)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.63
CTSS P25774 3/20 0.63
PSENEN Q9NZ42 1/20 0.48
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
PREP P48147 1/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
TRPA1 O75762 1/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL22371978 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL7345617 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL22371977 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL15671593 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL3087516 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL7345607 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL22371979 1.00 CTSK (0.63) CTSKCTSSPSENENCA2CA1
SCHEMBL59323 0.93 CTSK (0.61) CTSKCTSSCA2CA1CA7
SCHEMBL467994 0.93 CTSK (0.61) CTSKCTSSCA2CA1CA7
SCHEMBL256794 0.93 CTSK (0.61) CTSKCTSSCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050563-B1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS ALLERGAN INC (US) 2018-05-09 EP claimed
EP-2616067-B1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL]METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS ALLERGAN INC (US) 2016-05-18 EP claimed
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 claimed
EP-0204775-A4 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE. UNIV TROBE (AU) 1989-10-04 EP claimed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP claimed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 WO claimed
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 US disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 US disclosed
US-11254695-B2 Soluble C5aR antagonists CHEMOCENTRYX, INC. (US) 2022-02-22 US disclosed
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2022-01-27 US disclosed
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-1990005141-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUKOCYTIC ELASTASE AND COLLAGENASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1990-05-17 WO disclosed
EP-0204775-A4 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE. UNIV TROBE (AU) 1989-10-04 EP disclosed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP disclosed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 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 (7 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 CTSK 274/4885CTSS 157/4885PSENEN 3142/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 CTSK 469/4885CTSS 397/4885PSENEN 745/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 CTSK 469/4885CTSS 397/4885PSENEN 745/4885
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 CTSK 1072/4885CTSS 1989/4885PSENEN 1467/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 CTSK 469/4885CTSS 397/4885PSENEN 745/4885
US-11254695-B2 Soluble C5aR antagonists C5AR1, C3AR1, C5AR2 CTSK 981/4885CTSS 753/4885PSENEN 1547/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 CTSK 32/4885CTSS 309/4885PSENEN 3871/4885

“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.