SCHEMBL14968411

SCHEMBL14968411

CC(Cc1ccccc1)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
MAOB P27338 3/20 0.44
NISCH Q9Y2I1 3/20 0.44
PDPK1 O15530 1/20 0.43
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PKM P14618 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CTSA P10619 1/20 0.40
PTPRB P23467 1/20 0.39
ADRB3 P13945 1/20 0.39
CYP2D6 P10635 2/20 0.39
SLC18A2 Q05940 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL14962698 1.00 MAOA (0.44) MAOAMAOBNISCHPDPK1LMNA
SCHEMBL30230276 0.86 MAPKAPK2 (0.43) LMNASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL14962659 0.83 PDPK1 (0.41) MAOAPDPK1LMNATAAR1SLC6A2
SCHEMBL20196263 0.83 PDPK1 (0.41) MAOAPDPK1LMNATAAR1SLC6A2
SCHEMBL14962671 0.83 PDPK1 (0.41) MAOAPDPK1LMNATAAR1SLC6A2
SCHEMBL17480207 0.83 LOXL2 (0.51) LMNATAAR1SLC6A2SLC6A3CYP2A6
SCHEMBL16015558 0.81 ADRB2 (0.39) LMNASLC6A2SLC6A4ADORA2APTPRB
SCHEMBL14968534 0.81 ADRB2 (0.56) LMNASLC6A2SLC6A4CYP2A6PTPRB
SCHEMBL19200381 0.81 LMNA (0.39) MAOAPDPK1LMNATAAR1SLC6A2
SCHEMBL7610883 0.81 ADRB3 (0.45) PDPK1LMNAPKMCTSAPTPRB

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-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2018-04-18 EP disclosed
EP-2780039-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2017-11-29 EP disclosed
US-20170216452-A1 ANTIBODIES AND ANTIBODY FRAGMENTS FOR SITE-SPECIFIC CONJUGATION PFIZER INC. 2017-08-03 US disclosed
WO-2017093845-A1 ANTIBODIES AND ANTIBODY FRAGMENTS FOR SITE-SPECIFIC CONJUGATION PFIZER INC. (US) 2017-06-08 WO disclosed
US-20160168195-A1 OLIGOPEPTIDES AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-16 US disclosed
WO-2016055907-A1 SYNERGISTIC AURISTATIN COMBINATIONS PFIZER INC. (US) 2016-04-14 WO 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
WO-2013105013-A1 MUTANT ANTIBODIES AND CONJUGATION THEREOF COVX TECHNOLOGIES IRELAND LIMITED (IE) 2013-07-18 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 MAOA 4722/4885MAOB 4659/4885NISCH 3984/4885
US-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 MAOA 4722/4885MAOB 4659/4885NISCH 3984/4885
US-20160168195-A1 OLIGOPEPTIDES AND PROCESS FOR PREPARATION THEREOF NGLY1, VIP, PREP MAOA 4308/4885MAOB 4034/4885NISCH 3392/4885
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 MAOA 4722/4885MAOB 4659/4885NISCH 3984/4885
US-20170216452-A1 ANTIBODIES AND ANTIBODY FRAGMENTS FOR SITE-SPECIFIC CONJUGATION DNPEP, PA2G4, CD2BP2 MAOA 3820/4885MAOB 3718/4885NISCH 4840/4885

“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.