SCHEMBL14968534

SCHEMBL14968534

CNCc1ccc(CC(C)c2nccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.56
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
ACACB O00763 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CACNA2D1 P54289 3/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
PTPRB P23467 1/20 0.33
CCR3 P51677 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14962758 0.85 ADRB2 (0.54) ADRB2KDM4ELMNAXBP1ACACB
SCHEMBL16015558 0.85 ADRB2 (0.39) ADRB2KDM4ELMNAXBP1ACACB
SCHEMBL17480207 0.81 LOXL2 (0.51) ADRB2LMNAXBP1ACACBSLC6A2
SCHEMBL30230276 0.81 MAPKAPK2 (0.43) ADRB2LMNAXBP1ACACBSLC6A2
SCHEMBL14968411 0.81 MAOA (0.44) LMNASLC6A2SLC6A4CYP2A6PTPRB
SCHEMBL14962698 0.81 MAOA (0.44) LMNASLC6A2SLC6A4CYP2A6PTPRB
SCHEMBL20694152 0.72 SLC6A2 (0.48) ADRB2KDM4ELMNASLC6A2SLC6A4
SCHEMBL22207772 0.72 ADRB2 (1.00) ADRB2KDM4ESLC6A4LOXL2CYP3A4
SCHEMBL17480203 0.72 PRMT6 (0.42) ADRB2KDM4ESLC6A2SLC6A4LOXL2
SCHEMBL20054899 0.71 PTPRB (0.38) ADRB2KDM4ELMNAXBP1ACACB

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
EP-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 EP disclosed
EP-2780039-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2017-11-29 EP 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

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 ADRB2 4816/4885KDM4E 3448/4885LMNA 4369/4885
US-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 ADRB2 4816/4885KDM4E 3448/4885LMNA 4369/4885
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 ADRB2 4816/4885KDM4E 3448/4885LMNA 4369/4885

“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.