SCHEMBL2573377

SCHEMBL2573377

CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)c(F)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
ACE P12821 1/20 0.59
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
CTSS P25774 8/20 0.55
CTSK P43235 7/20 0.55
PPARA Q07869 6/20 0.51
PPARG P37231 5/20 0.51
CTSB P07858 2/20 0.51
CTSL P07711 1/20 0.51
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGB5 P18084 1/20 0.49
PPARD Q03181 2/20 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
SCHEMBL1516519 1.00 PTPN1 (0.61) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL1516520 1.00 PTPN1 (0.61) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL29398351 1.00 PTPN1 (0.61) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL29401347 1.00 PTPN1 (0.61) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL1429759 0.90 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL2631434 0.90 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL2215510 0.90 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL29663847 0.90 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL27139552 0.90 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL27139554 0.90 PTPN1 (0.59) PTPN1ACEITGB3ITGA2BCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN claimed
US-20240057599-A1 METHODS FOR IMPROVING FRUIT QUALITY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2024-02-22 US disclosed
US-11812746-B2 Method of controlling fungal infections in plants THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2023-11-14 US disclosed
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN disclosed
US-20200383327-A1 METHOD OF IMPROVING PLANT PERFORMANCE THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2020-12-10 US disclosed
US-20190246639-A1 METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCHORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2019-08-15 US 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-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives ASTRAZENECA AB (SE) 2016-04-21 US disclosed
WO-2012171900-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES NYCOMED GMBH (DE) 2012-12-20 WO disclosed
EP-2054418-B1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-11-09 EP disclosed
EP-2054418-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008006039-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed
WO-2005040095-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV ASTRAZENECA AB (SE) 2005-05-06 WO disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-6514997-B2 Block the activity of picornaviral 3C protease AGOURON PHARMACEUTICALS, INC. 2003-02-04 US disclosed
EP-1252145-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2001-11-29 US disclosed
WO-2001040189-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 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 (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-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis RNASE1, SERPINB1, RNASEH1 PTPN1 2539/4885ACE 134/4885ITGB3 2617/4885
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives PDE4A, PDE4B, PDE5A PTPN1 1905/4885ACE 399/4885ITGB3 4656/4885

“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.