SCHEMBL2366569

SCHEMBL2366569

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.50
MDM4 O15151 2/20 0.48
TP53 P04637 2/20 0.48
PIN1 Q13526 1/20 0.47
KMT2A Q03164 2/20 0.46
EPHX2 P34913 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
SCHEMBL29401455 1.00 CASP3 (0.50) CASP3MDM4TP53PIN1KMT2A
SCHEMBL30477937 1.00 CASP3 (0.50) CASP3MDM4TP53PIN1KMT2A
SCHEMBL29398070 1.00 CASP3 (0.50) CASP3MDM4TP53PIN1KMT2A
SCHEMBL30252212 1.00 CASP3 (0.50) CASP3MDM4TP53PIN1KMT2A
SCHEMBL119402 1.00 CASP3 (0.50) CASP3MDM4TP53PIN1KMT2A
SCHEMBL2366563 1.00 CASP3 (0.50) CASP3MDM4TP53PIN1KMT2A
SCHEMBL1738651 1.00 CASP3 (0.50) CASP3MDM4TP53PIN1KMT2A
SCHEMBL31575313 1.00 CASP3 (0.50) CASP3MDM4TP53PIN1KMT2A
SCHEMBL2367241 1.00 CASP3 (0.50) CASP3MDM4TP53PIN1KMT2A
SCHEMBL12055781 1.00 CASP3 (0.50) CASP3MDM4TP53PIN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US claimed
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
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 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-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed
WO-2014141104-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 WO disclosed
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 EP disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 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 (11 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-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CASP3 3005/4885MDM4 1288/4885TP53 13/4885
US-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ CASP3 332/4885MDM4 3630/4885TP53 2587/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CASP3 198/4885MDM4 3170/4885TP53 2720/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CASP3 619/4885MDM4 3785/4885TP53 383/4885
US-20220226482-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CASP3 1499/4885MDM4 4684/4885TP53 1916/4885
US-11229708-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 CASP3 1499/4885MDM4 4684/4885TP53 1916/4885
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CASP3 1499/4885MDM4 4684/4885TP53 1916/4885
US-20240156969-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CASP3 1499/4885MDM4 4684/4885TP53 1916/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP CASP3 2783/4885MDM4 1648/4885TP53 614/4885
US-11793880-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 CASP3 1499/4885MDM4 4684/4885TP53 1916/4885
US-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CASP3 2701/4885MDM4 4264/4885TP53 4431/4885

“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.