Sugi Predict

Sugi Predict / Compounds / SCHEMBL3554901

SCHEMBL3554901

SCHEMBL3554901

COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.63
▸ CTSS P25774 6/20 0.55
▸ CTSK P43235 5/20 0.55
▸ CTSB P07858 4/20 0.55
▸ CACNA1B Q00975 1/20 0.55
▸ CTSL P07711 2/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ ITGB3 P05106 2/20 0.54
▸ ITGA2B P08514 2/20 0.54
▸ PPARA Q07869 3/20 0.53
▸ PPARG P37231 2/20 0.53
▸ FPR2 P25090 1/20 0.52
▸ ITGB1 P05556 1/20 0.50
▸ ITGAV P06756 1/20 0.50
▸ ITGB5 P18084 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ALOX15 P16050 1/20 0.50

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
SCHEMBL3554904 1.00 ACE (0.63) ACECTSSCTSKCTSBCACNA1B
SCHEMBL3821386 1.00 ACE (0.63) ACECTSSCTSKCTSBCACNA1B
SCHEMBL31407807 1.00 ACE (0.63) ACECTSSCTSKCTSBCACNA1B
SCHEMBL31539528 0.90 KLK5 (0.58) ACECTSSCTSKCTSBCACNA1B
SCHEMBL19696789 0.90 CACNA1B (0.57) ACECTSSCTSKCTSBCACNA1B
SCHEMBL4729306 0.90 KLK5 (0.58) ACECTSSCTSKCTSBCACNA1B
SCHEMBL30547272 0.90 KLK5 (0.58) ACECTSSCTSKCTSBCACNA1B
SCHEMBL7273142 0.89 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL7273147 0.89 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL2309068 0.89 ACE (0.58) ACECTSSCTSKCTSBPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-09-21 — — US disclosed
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-09-21 — — US disclosed
WO-2023081290-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2023-05-11 — — WO disclosed
WO-2021222614-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2021-11-04 — — WO disclosed
US-20170158706-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-06-08 — — US disclosed
US-9604994-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-03-28 — — US disclosed
EP-3048106-A1 THIENOPYRIMIDINE AS INHIBITORS OF ATYPICAL PROTEIN KINASE C Cancer Research Technology Limited (GB) 2016-07-27 — — EP disclosed
EP-2782917-B1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER REC TECH LTD (GB) 2016-03-02 — — EP disclosed
US-20140323435-A1 Thienopyrimidine Inhibitors of Atypical Protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-10-30 — — US disclosed
WO-2013078126-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-05-30 — — WO disclosed
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 — — EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 — — US disclosed
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 — — EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 — — US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 — — EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 — — WO disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 — — US disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 — — 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 (6 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A ACE 3319/4885CTSS 281/4885CTSK 664/4885
US-20140323435-A1 Thienopyrimidine Inhibitors of Atypical Protein Kinase C PRKCQ, PRKDC, PRKACA ACE 2290/4885CTSS 4492/4885CTSK 1686/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B ACE 3230/4885CTSS 338/4885CTSK 712/4885
US-20170158706-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C PRKCQ, PRKDC, PRKACA ACE 2290/4885CTSS 4492/4885CTSK 1686/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU ACE 1332/4885CTSS 1158/4885CTSK 1629/4885
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS API5, XIAP, BIRC5 ACE 2573/4885CTSS 2342/4885CTSK 1886/4885

“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.