SCHEMBL16274147

SCHEMBL16274147

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 3/20 0.38
▸ CALCRL Q16602 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ FURIN P09958 2/20 0.37
▸ NMT2 O60551 2/20 0.37
▸ NMT1 P30419 2/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ PDF Q9HBH1 1/20 0.36
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ NCOR2 Q9Y618 2/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PLG P00747 1/20 0.35

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
SCHEMBL26423089 0.97 NMT2 (0.40) FAPCALCRLCTSLFURINNMT2
SCHEMBL26295409 0.93 FAP (0.36) FAPFURINNMT2NMT1HDAC3
SCHEMBL3244447 0.91 FAP (0.44) FAPFURINNMT2NMT1ROCK2
SCHEMBL21416485 0.91 FAP (0.44) FAPFURINNMT2NMT1ROCK2
SCHEMBL15246622 0.91 FAP (0.44) FAPFURINNMT2NMT1ROCK2
SCHEMBL16266184 0.91 FAP (0.44) FAPFURINNMT2NMT1ROCK2
SCHEMBL24129094 0.90 FAP (0.38) FAPCTSLFURINNMT2NMT1
SCHEMBL24848129 0.90 FAP (0.44) FAPFURINHDAC3HDAC1HDAC2
SCHEMBL15686242 0.89 NMT2 (0.45) CALCRLCTSLFURINNMT2NMT1
SCHEMBL23286101 0.87 FAP (0.42) FAPFURINHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2023-04-27 — — US disclosed
US-20210230218-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2021-07-29 — — US disclosed
EP-3838913-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREFOR MabPlex International Co., Ltd. (CN) 2021-06-23 — — EP disclosed
WO-2021077317-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREFOR 烟台迈百瑞国际生物医药股份有限公司 2021-04-29 — — WO disclosed
US-20170304460-A1 METHOD OF CONJUGATING A POLYPEPTIDE MEDIMMUNE, LLC 2017-10-26 — — US disclosed
WO-2017176648-A1 TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-10-12 — — WO disclosed
WO-2014193722-A1 ANTI-WALL TEICHOIC ANTIBODIES AND CONJUGATES GENENTECH, INC. (US) 2014-12-04 — — 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 (3 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-20170304460-A1 METHOD OF CONJUGATING A POLYPEPTIDE SHBG, PTMS, VIP FAP 290/4885CALCRL 1602/4885CTSL 919/4885
US-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP FAP 70/4885CALCRL 1300/4885CTSL 1005/4885
US-20210230218-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP FAP 70/4885CALCRL 1300/4885CTSL 1005/4885

“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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