SCHEMBL19280962

SCHEMBL19280962

[CH2]c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.54
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.41
PIN1 Q13526 1/20 0.41
MDM2 Q00987 1/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL29415585 0.89 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL29352081 0.89 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL21731443 0.89 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL16285132 0.89 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL15482107 0.89 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL22283287 0.89 CASP3 (0.53) CASP3EPHX2KMT2APIN1
SCHEMBL16646584 0.89 CASP3 (0.52) CASP3EPHX2KMT2APIN1
SCHEMBL29677937 0.89 CASP3 (0.52) CASP3EPHX2KMT2APIN1
SCHEMBL16634928 0.89 CASP3 (0.53) CASP3EPHX2KMT2APIN1MDM2
SCHEMBL20880298 0.87 CASP3 (0.51) CASP3EPHX2KMT2APIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129614-A1 SOMATOSTATIN SUBTYPE-2 RECEPTOR (SST2R) TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2024-06-20 WO disclosed
WO-2023096904-A2 C-16 MODIFIED TRIOXACARCINS, ANTIBODY DRUG CONJUGATES, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 WO disclosed
US-20190209704-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE SENSEI BIOTHERAPEUTICS, INC. 2019-07-11 US disclosed
EP-3209334-A2 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Igenica Biotherapeutics, Inc. (US) 2017-08-30 EP 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 (1 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-20190209704-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND RELATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYTH3, CD47, FCGRT CASP3 572/4885EPHX2 741/4885KMT2A 2145/4885

“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.