Sugi Predict

Sugi Predict / Compounds / SCHEMBL1056763

SCHEMBL1056763

SCHEMBL1056763

COC(=O)[C@H](Cc1c(C)cc(C(N)=O)cc1C)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.45
▸ CTSS P25774 3/20 0.40
▸ ACE P12821 1/20 0.38
▸ TACR1 P25103 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ AAK1 Q2M2I8 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA2B P08514 1/20 0.37

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
SCHEMBL1056766 1.00 KLK5 (0.45) KLK5CTSSACETACR1MAPT
SCHEMBL13316851 0.89 CTSS (0.40) CTSSACEMAPTALDH1A1AAK1
SCHEMBL1061604 0.89 KLK5 (0.48) KLK5CTSSACETACR1MAPT
SCHEMBL1055858 0.89 ACE (0.49) CTSSACECTSLCTSBCTSK
SCHEMBL1061605 0.89 KLK5 (0.48) KLK5CTSSACETACR1MAPT
SCHEMBL1055857 0.89 ACE (0.49) CTSSACECTSLCTSBCTSK
SCHEMBL28888255 0.88 KLK5 (0.43) KLK5CTSSACETACR1MAPT
SCHEMBL28888254 0.88 KLK5 (0.43) KLK5CTSSACETACR1MAPT
SCHEMBL12600964 0.87 ACE (0.42) CTSSACEMAPTALDH1A1AAK1
SCHEMBL23375900 0.87 KLK5 (0.44) KLK5CTSSACETACR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111377832-A Novel method for preparing irudoline intermediate 江苏联昇化学有限公司 2020-07-07 — — CN claimed
CN-111377832-A Novel method for preparing irudoline intermediate 江苏联昇化学有限公司 2020-07-07 — — CN disclosed
CN-111377832-A Novel method for preparing irudoline intermediate 江苏联昇化学有限公司 2020-07-07 — — CN disclosed
EP-3112352-B1 OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-21 — — EP disclosed
US-20180325870-A1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2018-11-15 — — US disclosed
EP-2362868-B1 PROCESS FOR THE PREPARATION OF PROTECTED L-ALANINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-12-20 — — EP disclosed
US-9700542-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-11 — — US disclosed
US-9700542-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-11 — — US disclosed
EP-3112352-A1 OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2017-01-04 — — EP disclosed
EP-2275105-B1 Heterocyclic derivatives as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-10-05 — — EP disclosed
WO-2006099060-A2 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-21 — — WO disclosed
WO-2006098982-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-21 — — WO disclosed
US-20060211863-A1 Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 — — US disclosed
US-20060211861-A1 Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 — — US disclosed
US-7041681-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-09 — — US disclosed
US-20060030558-A1 Novel compounds as opioid receptor modulators BRESLIN HENRY J 2006-02-09 — — US disclosed
WO-2005090315-A1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N. V. (BE) 2005-09-29 — — WO disclosed
US-20050203143-A1 use as pain relievers, gastrointestinal disorders such as inflammatory bowel disease; compounds are aminoacetamide derivatives substituted with an imidazole; 5-(([2-Amino-3-(4-carbamoyl-2,6-dimethyl-phenyl)-propionyl]-[1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-amino)-methyl)-2-methoxy-benzoic acid for example JANSSEN PHARMACEUTICA, N. V. (BE) 2005-09-15 — — US disclosed
US-20050187252-A1 2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-phenyl-oxazol-2-yl)-piperidin-1-yl]-propan-1-one; pain and gastrointestinal disorders BRESLIN HENRY J (US) 2005-08-25 — — US disclosed
US-20040010014-A1 Novel compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2004-01-15 — — 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 (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-20050203143-A1 use as pain relievers, gastrointestinal disorders such as inflammatory bowel disease; compounds are aminoacetamide derivatives substituted with an imidazole; 5-(([2-Amino-3-(4-carbamoyl-2,6-dimethyl-phenyl)-propionyl]-[1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-amino)-methyl)-2-methoxy-benzoic acid for example OPRK1, OPRM1, OPRL1 KLK5 3907/4885CTSS 3659/4885ACE 2301/4885
US-20060030558-A1 Novel compounds as opioid receptor modulators OPRL1, OPRK1, OPRM1 KLK5 3720/4885CTSS 3517/4885ACE 3541/4885
US-20060211861-A1 Process for the preparation of opioid modulators OPRM1, OPRK1, OPRL1 KLK5 2264/4885CTSS 2017/4885ACE 2759/4885
US-20050187252-A1 2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-phenyl-oxazol-2-yl)-piperidin-1-yl]-propan-1-one; pain and gastrointestinal disorders OPRL1, OPRK1, OPRD1 KLK5 3666/4885CTSS 4047/4885ACE 3236/4885
US-20040010014-A1 Novel compounds as opioid receptor modulators OPRL1, OPRK1, OPRM1 KLK5 3720/4885CTSS 3517/4885ACE 3541/4885
US-20180325870-A1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 KLK5 2436/4885CTSS 3591/4885ACE 2723/4885
US-20060211863-A1 Process for the preparation of opioid modulators OPRM1, OPRK1, OPRL1 KLK5 2264/4885CTSS 2017/4885ACE 2759/4885

“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.