SCHEMBL4600435

SCHEMBL4600435

CC(C)(C)OC(=O)N[C@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.76
CTSK P43235 5/20 0.76
ACE P12821 4/20 0.56
MME P08473 2/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
HRH4 Q9H3N8 1/20 0.54
PTPN1 P18031 1/20 0.53
SCN9A Q15858 1/20 0.53
CYP3A4 P08684 4/20 0.52
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
CTSL P07711 2/20 0.51

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
SCHEMBL613640 1.00 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL29401990 1.00 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL4122289 1.00 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL17137918 0.95 CTSS (0.77) CTSSCTSKACEMMECPA1
SCHEMBL17137921 0.95 CTSS (0.77) CTSSCTSKACEMMECPA1
Dipentylamine SCHEMBL9536578 0.89 CTSK (0.63) CTSSCTSKACEMMECPA1
SCHEMBL345085 0.89 CTSK (0.65) CTSSCTSKACEPTPN1CYP3A4
SCHEMBL7288479 0.89 CTSK (0.65) CTSSCTSKACEPTPN1CYP3A4
SCHEMBL8662603 0.89 CTSS (0.62) CTSSCTSKACEMMECPA1
SCHEMBL8554176 0.89 CTSS (0.74) CTSSCTSKACEMMECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113260365-A Novel compound and pharmaceutical composition for enhancing anticancer activity comprising the same 治愈医药社株式会社 2021-08-13 CN disclosed
CN-105189524-B The synthetic method of optical activity alpha-amino acid 浜理药品工业株式会社 2019-07-19 CN disclosed
US-10242871-B2 Resist underlayer film-forming composition including a compound having an amino group protected with a tert-butoxycarbonyl group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-03-26 US disclosed
US-20170250079-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-31 US disclosed
US-20170250079-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-31 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
US-20140323435-A1 Thienopyrimidine Inhibitors of Atypical Protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-10-30 US disclosed
EP-0480969-A4 AMINO ACID ANALOG CCK ANTAGONISTS 1993-01-07 EP disclosed
EP-0480969-A1 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1992-04-22 EP disclosed
WO-1991000725-A2 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1991-01-24 WO disclosed
EP-0049628-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH, USEFUL AS LHRH ANTAGONISTS, METHODS OF MAKING THEM, AND THEIR PHARMACEUTICAL USES SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed
EP-0021234-B1 NONAPEPTIDE AND DECAPEPTIDE DERIVATIVES OF LUTEINIZING HORMONE RELEASING HORMONE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1984-08-22 EP disclosed
US-4419347-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1983-12-06 US disclosed
US-4341767-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX INC. (US) 1982-07-27 US disclosed
EP-0049628-A2 Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists, methods of making them, and their pharmaceutical uses SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
EP-0021234-A1 Nonapeptide and decapeptide derivatives of luteinizing hormone releasing hormone, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-01-07 EP disclosed
US-4234571-A CONTRACEPTIVES, ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1980-11-18 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 (2 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-20140323435-A1 Thienopyrimidine Inhibitors of Atypical Protein Kinase C PRKCQ, PRKDC, PRKACA CTSS 4492/4885CTSK 1686/4885ACE 2290/4885
US-20170158706-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C PRKCQ, PRKDC, PRKACA CTSS 4492/4885CTSK 1686/4885ACE 2290/4885

“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.