Sugi Predict

Sugi Predict / Compounds / SCHEMBL3376451

SCHEMBL3376451

SCHEMBL3376451

COc1ccccc1CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.60
▸ ITGA4 P13612 2/20 0.56
▸ ITGB7 P26010 2/20 0.56
▸ ACE P12821 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ CACNA1B Q00975 1/20 0.54
▸ CTSS P25774 5/20 0.54
▸ CTSK P43235 4/20 0.54
▸ SCN9A Q15858 1/20 0.53
▸ PPARA Q07869 5/20 0.51
▸ PPARG P37231 4/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ PPARD Q03181 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49

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
SCHEMBL3376442 1.00 TACR1 (0.60) TACR1ITGA4ITGB7ACEALDH1A1
SCHEMBL31407351 1.00 TACR1 (0.60) TACR1ITGA4ITGB7ACEALDH1A1
SCHEMBL20661656 0.89 TACR1 (0.59) TACR1ITGA4ITGB7ACECACNA1B
SCHEMBL14974873 0.89 TACR1 (0.59) TACR1ITGA4ITGB7ACECACNA1B
SCHEMBL12671677 0.88 ACE (0.54) TACR1ACECTSSCTSKSCN9A
SCHEMBL7720051 0.88 ACE (0.54) TACR1ACECTSSCTSKSCN9A
SCHEMBL8238588 0.88 CTSK (0.54) TACR1ITGA4ITGB7ACEALDH1A1
SCHEMBL7895362 0.88 TACR1 (0.58) TACR1ITGA4ITGB7CACNA1BCTSS
SCHEMBL21408984 0.88 CTSK (0.54) TACR1ITGA4ITGB7ACEALDH1A1
SCHEMBL12305802 0.88 CTSK (0.54) TACR1ITGA4ITGB7ACEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954251-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-03-23 — — US disclosed
US-10954251-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-03-23 — — US disclosed
US-20190106433-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C WINDTREE THERAPEUTICS, INC. 2019-04-11 — — US disclosed
US-20190106433-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C WINDTREE THERAPEUTICS, INC. 2019-04-11 — — US disclosed
US-10183950-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-01-22 — — US disclosed
US-10183950-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-01-22 — — US 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
WO-2013078126-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-05-30 — — WO disclosed
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 — — EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 — — US disclosed
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 — — EP disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 — — US disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 — — US disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 — — US disclosed
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 — — US disclosed
US-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 — — 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF TACR1 4379/4885ITGA4 4701/4885ITGB7 4063/4885
US-10183950-B2 Thienopyrimidine inhibitors of atypical protein kinase C PRKCQ, PRKDC, PRKACA TACR1 3679/4885ITGA4 4160/4885ITGB7 4141/4885
US-20190106433-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C PRKX, PRKCQ, PRKACA TACR1 2634/4885ITGA4 3971/4885ITGB7 3896/4885
US-10954251-B2 Thienopyrimidine inhibitors of atypical protein kinase C PRKX, PRKCQ, PRKACA TACR1 2634/4885ITGA4 3971/4885ITGB7 3896/4885
US-20170158706-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C PRKCQ, PRKDC, PRKACA TACR1 3679/4885ITGA4 4160/4885ITGB7 4141/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU TACR1 3220/4885ITGA4 4478/4885ITGB7 4209/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC TACR1 2097/4885ITGA4 2886/4885ITGB7 1876/4885

“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.