SCHEMBL14978945

SCHEMBL14978945

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.48
▸ MAP1LC3B Q9GZQ8 2/20 0.40
▸ SIRT2 Q8IXJ6 8/20 0.39
▸ SIRT1 Q96EB6 7/20 0.39
▸ SIRT3 Q9NTG7 3/20 0.38
▸ NPY1R P25929 2/20 0.38
▸ NPY4R P50391 2/20 0.38
▸ NPY5R Q15761 2/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ SIRT5 Q9NXA8 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
SCHEMBL27249189 1.00 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL23420151 1.00 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL23843840 1.00 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL28365735 0.95 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL23485287 0.95 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL22678894 0.95 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL17722931 0.95 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL23420078 0.95 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL20733059 0.95 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3
SCHEMBL25094983 0.95 FAP (0.48) FAPMAP1LC3BSIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760233-B1 ONE-POT PREPARATION PROCESS FOR ANTIBODY DRUG CONJUGATE INTERMEDIATE MABPLEX INT CO LTD (CN) 2023-07-12 — — EP disclosed
EP-3099681-B1 CYTOTOXIC TUBULYSIN COMPOUNDS AND CONJUGATES THEREOF TUBE PHARMACEUTICALS GMBH (AT) 2020-12-09 — — EP disclosed
US-20180147294-A1 ANTIBODY-DRUG CONJUGATES, COMPOSITIONS AND METHODS OF USE IGENICA BIOTHERAPEUTICS, INC. 2018-05-31 — — US disclosed
EP-2780039-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2017-11-29 — — EP disclosed
US-9764040-B2 Spliceostatin analogs and methods for their preparation PFIZER INC. (US) 2017-09-19 — — US disclosed
US-20170014523-A1 SPLICEOSTATIN ANALOGS AND METHOS FOR THEIR PREPARATION PFIZER (US) 2017-01-19 — — US disclosed
EP-2927227-A1 ANTIBODY-LINKER-DRUG CONJUGATE, PREPARATION METHOD THEREFOR, AND ANTICANCER DRUG COMPOSITION CONTAINING SAME Celltrion, Inc. (KR) 2015-10-07 — — EP disclosed
WO-2014107024-A1 ANTIBODY-LINKER-DRUG CONJUGATE, PREPARATION METHOD THEREFOR, AND ANTICANCER DRUG COMPOSITION CONTAINING SAME 셀트리온 (KR) 2014-07-10 — — WO disclosed
WO-2014068443-A1 SPLICEOSTATIN ANALOGS PFIZER INC. (US) 2014-05-08 — — WO disclosed
WO-2013072813-A2 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 — — 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 (2 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-20180147294-A1 ANTIBODY-DRUG CONJUGATES, COMPOSITIONS AND METHODS OF USE SDCBP, CD81, DSTN FAP 2598/4885MAP1LC3B 302/4885SIRT2 4565/4885
US-20170014523-A1 SPLICEOSTATIN ANALOGS AND METHOS FOR THEIR PREPARATION SF3B5, SF3B1, SNRPA1 FAP 3551/4885MAP1LC3B 1462/4885SIRT2 2370/4885

“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.

Send feedback