SCHEMBL800110

SCHEMBL800110

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.56
▸ KMT2A Q03164 2/20 0.47
▸ PTPN1 P18031 3/20 0.45
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL30089356 1.00 CASP3 (0.56) CASP3KMT2APTPN1MDM4TP53
SCHEMBL8483923 0.89 CASP3 (0.47) CASP3KMT2APTPN1EPHX2
SCHEMBL377860 0.86 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1509157 0.85 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL25186508 0.85 CASP3 (0.59) CASP3KMT2APTPN1MDM4TP53
SCHEMBL29400907 0.85 CASP3 (0.59) CASP3KMT2APTPN1MDM4TP53
SCHEMBL119197 0.85 CASP3 (0.59) CASP3KMT2APTPN1MDM4TP53
SCHEMBL14265318 0.85 CASP3 (0.59) CASP3KMT2APTPN1MDM4TP53
SCHEMBL30759963 0.85 CASP3 (0.59) CASP3KMT2APTPN1MDM4TP53
SCHEMBL119762 0.85 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039915-A1 IMMUNOLOGICAL CONTROL OF BETA-AMYLOID LEVELS IN VIVO BOSTON BIOMEDICAL RESEARCH INSTITUTE (US) 2016-02-11 — — US disclosed
US-8809498-B2 Pepstatin A derivatives FREIE UNIVERSITAET BERLIN (DE) 2014-08-19 — — US disclosed
US-8809498-B2 Pepstatin A derivatives FREIE UNIVERSITAET BERLIN (DE) 2014-08-19 — — US disclosed
US-20140086937-A1 IMMUNOLOGICAL CONTROL OF BETA-AMYLOID LEVELS IN VIVO BOSTON BIOMEDICAL RESEARCH INSTITUTE (US) 2014-03-27 — — US disclosed
EP-2283030-B1 PEPSTATIN A DERIVATIVES UNIV BERLIN FREIE (DE) 2013-10-23 — — EP disclosed
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 — — US disclosed
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 — — US disclosed
US-20120252730-A1 PLATELET AGGREGATION INHIBITORS UNIVERSITY OF CHICAGO (US) 2012-10-04 — — US disclosed
US-20120252730-A1 PLATELET AGGREGATION INHIBITORS UNIVERSITY OF CHICAGO (US) 2012-10-04 — — US disclosed
US-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 — — US disclosed
WO-2007053358-A2 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES PRAECIS PHARMACEUTICALS, INC. (US) 2007-05-10 — — WO disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 — — US disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 — — US disclosed
US-20060228371-A1 Immunological control of beta-amyloid levels in vivo BOSTON BIOMEDICAL RESEARCH INSTITUTE (US) 2006-10-12 — — US disclosed
US-20050147613-A1 Immunological control of beta-amyloid levels in vivo BOSTON BIOMEDICAL RESEARCH INSTITUTE (US) 2005-07-07 — — US disclosed
US-6872554-B2 Immunological control of β-amyloid levels in vivo BOSTON BIOMEDICAL RESEARCH INSTITUTE (US) 2005-03-29 — — US disclosed
US-20030235897-A1 Immunological control of beta-amyloid levels in vivo BOSTON BIOMEDICAL RESEARCH INSTITUTE (US) 2003-12-25 — — US disclosed
US-6582945-B1 Vectorized antibody for use in the treatment of alzheimer's disease BOSTON BIOMEDICAL RESEARCH INSTITUTE 2003-06-24 — — US disclosed
US-20020136718-A1 Immunological control of beta-amyloid levels in vivo BOSTON BIOMEDICAL RESEARCH INSTITUTE (US) 2002-09-26 — — US disclosed
US-20020102261-A1 Immunological control of beta-amyloid levels in vivo BOSTON BIOMEDICAL RESEARCH INSTITUTE (US) 2002-08-01 — — 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-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT CASP3 4851/4885KMT2A 1848/4885PTPN1 4052/4885
US-20120252730-A1 PLATELET AGGREGATION INHIBITORS PTAFR, PFKP, TNNI3 CASP3 1234/4885KMT2A 4834/4885PTPN1 3160/4885

“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.

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