SCHEMBL14962736

SCHEMBL14962736

COC(=O)[C@H](Cc1ccc2ncccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
CTSS P25774 3/20 0.52
CTSK P43235 3/20 0.52
CTSB P07858 2/20 0.52
KLK5 Q9Y337 1/20 0.50
PTPN1 P18031 2/20 0.47
FCER2 P06734 1/20 0.47
SCN9A Q15858 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
ACACB O00763 1/20 0.44
ACE P12821 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 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
SCHEMBL31407747 0.90 PTPN1 (0.57) CTSSCTSKCTSBPTPN1FCER2
SCHEMBL5781195 0.90 PTPN1 (0.57) CTSSCTSKCTSBPTPN1FCER2
SCHEMBL2300108 0.90 PTPN1 (0.57) CTSSCTSKCTSBPTPN1FCER2
SCHEMBL31407756 0.90 PTPN1 (0.57) CTSSCTSKCTSBPTPN1FCER2
SCHEMBL5630007 0.84 CTSS (0.69) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL31584535 0.84 CTSS (0.69) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL19647129 0.83 TAS1R3 (0.56) TAS1R3TAS1R1FCER2ALOX15HTT
SCHEMBL25152122 0.83 CTSS (0.49) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL3317027 0.83 CTSS (0.49) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL29919513 0.83 CTSS (0.49) CTSSCTSKCTSBKLK5PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3327027-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2021-01-06 EP disclosed
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-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-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-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-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-8828401-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2014-09-09 US disclosed
WO-2013072813-A2 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 WO disclosed
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 US disclosed
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 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 (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 TAS1R3 4607/4885TAS1R1 4788/4885CTSS 1389/4885
US-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 TAS1R3 4607/4885TAS1R1 4788/4885CTSS 1389/4885
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 TAS1R3 4607/4885TAS1R1 4788/4885CTSS 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.