SCHEMBL15929330

SCHEMBL15929330

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.54
▸ KMT2A Q03164 2/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ PIN1 Q13526 1/20 0.43

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
SCHEMBL29445597 1.00 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL14581384 1.00 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL15223382 0.91 CASP3 (0.53) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL31453048 0.91 CASP3 (0.53) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29445616 0.89 CASP3 (0.51) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL13652772 0.89 CASP3 (0.51) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL3269193 0.87 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL13452269 0.87 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL31068390 0.87 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL5021152 0.87 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53

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-3099692-B9 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-11-13 — — EP disclosed
EP-3521292-A1 BIFUNCTIONAL CYTOTOXIC AGENTS Pfizer Inc (US) 2019-08-07 — — EP disclosed
EP-3099692-B1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER (US) 2019-03-13 — — EP disclosed
EP-3342785-A1 LINKERS FOR ANTIBODY-DRUG CONJUGATES Daiichi Sankyo Company, Limited (JP) 2018-07-04 — — EP disclosed
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 — — US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 — — US disclosed
US-9605024-B2 PAR4 agonist peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 — — US disclosed
US-20160304560-A1 PAR4 AGONIST PEPTIDES BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 — — US disclosed
US-9308236-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-12 — — US disclosed
US-9303065-B2 PAR4 agonist peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 — — US disclosed
WO-2015110935-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. (US) 2015-07-30 — — WO disclosed
US-20150158910-A1 PAR4 AGONIST PEPTIDES BRISTOL-MYERS SQUIBB COMPANY 2015-06-11 — — US disclosed
US-20140294898-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY 2014-10-02 — — US disclosed
US-20140220047-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2014-08-07 — — 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 (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-20140294898-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 CASP3 1644/4885KMT2A 2643/4885EPHX2 4863/4885
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 CASP3 1437/4885KMT2A 3743/4885EPHX2 815/4885
US-20140220047-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM CASP3 2155/4885KMT2A 2858/4885EPHX2 3215/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 CASP3 3617/4885KMT2A 3513/4885EPHX2 2816/4885
US-20150158910-A1 PAR4 AGONIST PEPTIDES F2RL3, F2R, F2RL1 CASP3 1091/4885KMT2A 2954/4885EPHX2 2577/4885
US-20160304560-A1 PAR4 AGONIST PEPTIDES F2RL3, F2R, F2RL1 CASP3 1091/4885KMT2A 2954/4885EPHX2 2577/4885

“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.

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