SCHEMBL8775212

SCHEMBL8775212

C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 12/20 0.43
XIAP P98170 12/20 0.43
BIRC3 Q13489 1/20 0.40
ESR1 P03372 1/20 0.39
TRPV1 Q8NER1 5/20 0.38
CTSL P07711 1/20 0.33
BIRC2 Q13490 1/20 0.33

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
SCHEMBL25555470 0.90 RIPK2 (0.43) RIPK2XIAPBIRC3ESR1TRPV1
SCHEMBL21350495 0.90 RIPK2 (0.43) RIPK2XIAPBIRC3ESR1TRPV1
SCHEMBL10075880 0.89 RIPK2 (0.36) RIPK2XIAPBIRC3ESR1CTSL
SCHEMBL23884348 0.88 RIPK2 (0.36) RIPK2XIAPBIRC3ESR1BIRC2
SCHEMBL21472349 0.88 RIPK2 (0.36) RIPK2XIAPBIRC3ESR1BIRC2
SCHEMBL23884350 0.88 RIPK2 (0.36) RIPK2XIAPBIRC3ESR1BIRC2
SCHEMBL22835664 0.88 RIPK2 (0.36) RIPK2XIAPBIRC3ESR1BIRC2
SCHEMBL21472327 0.88 RIPK2 (0.37) RIPK2XIAPBIRC3ESR1TRPV1
SCHEMBL24926173 0.87 USP30 (0.37) RIPK2XIAPESR1
SCHEMBL29836916 0.87 USP30 (0.37) RIPK2XIAPESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081319-A1 Solid Oral Formulations and Crystalline Forms of an Inhibitor of Apoptosis Protein NOVARTIS AG (CH) 2017-03-23 US disclosed
US-20170081319-A1 Solid Oral Formulations and Crystalline Forms of an Inhibitor of Apoptosis Protein NOVARTIS AG (CH) 2017-03-23 US disclosed
US-9540363-B2 Solid oral formulations and crystalline forms of an inhibitor of apoptosis protein NOVARTIS AG (CH) 2017-01-10 US disclosed
US-9540363-B2 Solid oral formulations and crystalline forms of an inhibitor of apoptosis protein NOVARTIS AG (CH) 2017-01-10 US disclosed
US-8623385-B2 Solid oral formulations and crystalline forms of an inhibitor of apoptosis protein NOVARTIS AG (CH) 2014-01-07 US disclosed
US-8623385-B2 Solid oral formulations and crystalline forms of an inhibitor of apoptosis protein NOVARTIS AG (CH) 2014-01-07 US disclosed
US-20120128742-A1 SOLID ORAL FORMULATIONS AND CRYSTALLINE FORMS OF AN INHIBITOR OF APOPTOSIS PROTEIN NOVARTIS AG (CH) 2012-05-24 US disclosed
US-20120128742-A1 SOLID ORAL FORMULATIONS AND CRYSTALLINE FORMS OF AN INHIBITOR OF APOPTOSIS PROTEIN NOVARTIS AG (CH) 2012-05-24 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-20170081319-A1 Solid Oral Formulations and Crystalline Forms of an Inhibitor of Apoptosis Protein API5, BAX, BCL2 RIPK2 599/4885XIAP 367/4885BIRC3 121/4885
US-20120128742-A1 SOLID ORAL FORMULATIONS AND CRYSTALLINE FORMS OF AN INHIBITOR OF APOPTOSIS PROTEIN API5, BAX, BCL2 RIPK2 623/4885XIAP 322/4885BIRC3 113/4885

“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.