SCHEMBL1667845

SCHEMBL1667845

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.53
KMT2A Q03164 2/20 0.50
MDM4 O15151 2/20 0.50
TP53 P04637 2/20 0.50
EPHX2 P34913 1/20 0.47

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
SCHEMBL30593377 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1667826 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29357309 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30878000 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30186613 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL14407149 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30001216 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL16003177 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL22144908 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL178736 0.95 CASP3 (0.57) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
US-20200347217-A1 BLENDS OF OLIGOPEPTIDE TERMINAL POLYISOBUTYLENE OR POLYSTYRENE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2020-11-05 US disclosed
US-10752765-B2 Blends of oligopeptide terminal polyisobutylene or polystyrene ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2020-08-25 US disclosed
US-20150307701-A1 BLENDS OF OLIGOPEPTIDE TERMINAL POLYISOBUTYLENE OR POLYSTYRENE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2015-10-29 US disclosed
EP-2922896-A1 BLENDS OF OLIGOPEPTIDE TERMINAL POLYISOBUTYLENE OR POLYSTYRENE Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2015-09-30 EP disclosed
WO-2014080043-A1 BLENDS OF OLIGOPEPTIDE TERMINAL POLYISOBUTYLENE OR POLYSTYRENE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-05-30 WO disclosed
US-20120271003-A1 Block Copolymers As Thermoplastic Elastomers Made Of Polyisobutene Blocks And Oligoamide Blocks BASF SE (DE) 2012-10-25 US disclosed
EP-2488570-A1 BLOCK COPOLYMERS AS THERMOPLASTIC ELASTOMERS MADE OF POLYISOBUTENE BLOCKS AND OLIGOAMIDE BLOCKS BASF SE (DE) 2012-08-22 EP disclosed
WO-2011045309-A1 BLOCK COPOLYMERS AS THERMOPLASTIC ELASTOMERS MADE OF POLYISOBUTENE BLOCKS AND OLIGOAMIDE BLOCKS BASF SE (DE) 2011-04-21 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 (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-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF ADCY3, ADCY8, ADCY7 CASP3 407/4885KMT2A 1105/4885MDM4 3859/4885

“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.