SCHEMBL7307323

SCHEMBL7307323

CC[C@H](C)[C@@H](C=O)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.58
CTSB P07858 2/20 0.58
CTSS P25774 2/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
CTSK P43235 4/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.52
CASP3 P42574 2/20 0.51
SYK P43405 1/20 0.50
ELANE P08246 1/20 0.49
CTRB1 P17538 2/20 0.49

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
SCHEMBL4394493 0.87 ATM (0.56) CTSLCTSBCTSSCTSKATM
SCHEMBL2228854 0.87 ATM (0.56) CTSLCTSBCTSSCTSKATM
SCHEMBL4394496 0.87 ATM (0.56) CTSLCTSBCTSSCTSKATM
SCHEMBL20827892 0.87 CTSK (0.66) CTSLCTSBCTSSCTSK
SCHEMBL8972419 0.87 CTSK (0.66) CTSLCTSBCTSSCTSK
SCHEMBL6476159 0.85 CTSK (0.54) CTSLCTSBCTSSCTSKATM
SCHEMBL16313895 0.84 CTSL (0.51) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL5275932 0.83 CTSK (0.59) CTSLCTSBCTSSCTSKATM
SCHEMBL5275940 0.83 CTSK (0.59) CTSLCTSBCTSSCTSKATM
SCHEMBL14648625 0.83 CTSL (0.63) CTSLCTSBCTSSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780039-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2017-11-29 EP disclosed
US-9249186-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2016-02-02 US disclosed
US-20150307551-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. 2015-10-29 US disclosed
US-9138486-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2015-09-22 US disclosed
US-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. 2014-12-11 US disclosed
US-8828401-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2014-09-09 US disclosed
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 US disclosed
EP-0621270-B1 Piperazine derivatives as collagenase inhibitors SANKYO CO (JP) 2000-04-12 EP disclosed
US-6008228-A COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS HOFFMAN-LA ROCHE INC. (US) 1999-12-28 US disclosed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0831826-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1998-04-01 EP disclosed
US-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
WO-1996039142-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1996-12-12 WO disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 EP disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP disclosed
EP-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP 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-20150307551-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 CTSL 320/4885CTSB 505/4885CTSS 1389/4885
US-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 CTSL 320/4885CTSB 505/4885CTSS 1389/4885
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 CTSL 320/4885CTSB 505/4885CTSS 1389/4885

“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.