SCHEMBL7317767

SCHEMBL7317767

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.52
KMT2A Q03164 2/20 0.51
EPHX2 P34913 1/20 0.48
PIN1 Q13526 1/20 0.48
MDM4 O15151 1/20 0.46
TP53 P04637 1/20 0.46
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44

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
SCHEMBL29398871 1.00 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL7317762 1.00 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL7390390 1.00 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL17256589 1.00 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL2591014 0.91 CASP3 (0.58) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL29670320 0.91 CASP3 (0.58) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL2591012 0.91 CASP3 (0.58) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL30725734 0.90 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL13722468 0.90 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL1486191 0.90 CASP3 (0.54) CASP3KMT2AEPHX2PIN1MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727552-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS Merck Sharp & Dohme LLC (US) 2026-04-22 EP disclosed
WO-2024259310-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-12-19 WO disclosed
US-20240156969-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2024-05-16 US disclosed
US-11793880-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2023-10-24 US disclosed
EP-4074328-A1 INTERMEDIATES OF CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS Seagen Inc. (US) 2022-10-19 EP disclosed
US-20220226482-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2022-07-21 US disclosed
EP-3383420-B1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2022-03-23 EP disclosed
US-11229708-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2022-01-25 US disclosed
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEATTLE GENETICS, INC. (US) 2019-01-17 US disclosed
US-8546533-B2 Pipecolic linker and its use for chemistry on solid support CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-10-01 US disclosed
US-20110152464-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT UNIVERSITE DE MONTPELLIER I (FR) 2011-06-23 US disclosed
CN-101316852-A Inhibitors of serine proteases VERTEX PHARMA (US) 2008-12-03 CN disclosed
US-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 US disclosed
WO-1999041227-A1 TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-08-19 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 (6 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-20220226482-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CASP3 1499/4885KMT2A 2306/4885EPHX2 3384/4885
US-11229708-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 CASP3 1499/4885KMT2A 2306/4885EPHX2 3384/4885
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CASP3 1499/4885KMT2A 2306/4885EPHX2 3384/4885
US-20110152464-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT PRRC2C, VIP, PRRC2A CASP3 3929/4885KMT2A 4248/4885EPHX2 175/4885
US-20240156969-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CASP3 1499/4885KMT2A 2306/4885EPHX2 3384/4885
US-11793880-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 CASP3 1499/4885KMT2A 2306/4885EPHX2 3384/4885

“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.