SCHEMBL17138261

SCHEMBL17138261

CN(Cc1ccccc1)[C@H](C(=O)O)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
SLC18A3 Q16572 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL17138280 0.77 SLC18A3 (0.48) L3MBTL1SLC18A3MEN1KMT2AMAPK1
SCHEMBL17138281 0.77 SLC18A3 (0.48) L3MBTL1SLC18A3MEN1KMT2AMAPK1
SCHEMBL23298118 0.76 SIGMAR1 (0.52) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL23298120 0.76 SIGMAR1 (0.52) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL17138274 0.76 L3MBTL1 (0.45) L3MBTL1SLC18A3MEN1KMT2AMAPK1
SCHEMBL17138272 0.76 L3MBTL1 (0.45) L3MBTL1SLC18A3MEN1KMT2AMAPK1
SCHEMBL25242729 0.75 SIGMAR1 (0.51) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL25179444 0.73 SIGMAR1 (0.49) L3MBTL1ALDH1A1TSHRKCNH2HPGD
SCHEMBL11179311 0.73 NPC1 (0.53) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL7144646 0.72 KMT2A (0.57) MEN1KMT2AALDH1A1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2016-06-09 US disclosed
US-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2016-06-09 US disclosed
US-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2016-06-09 US disclosed
US-9260478-B2 Potent and efficient cytotoxic peptides and antibody-drug conjugates thereof and their synthesis HU SHANGHUI (US) 2016-02-16 US disclosed
US-9260478-B2 Potent and efficient cytotoxic peptides and antibody-drug conjugates thereof and their synthesis HU SHANGHUI (US) 2016-02-16 US disclosed
US-9260478-B2 Potent and efficient cytotoxic peptides and antibody-drug conjugates thereof and their synthesis HU SHANGHUI (US) 2016-02-16 US disclosed
WO-2015154029-A1 POTENT AND EFFICIENT CYTOTOXIC PEPTIDES AND ANTIBODY-DRUG CONJUGATES THEREOF ACES Pharma Inc. (US) 2015-10-08 WO disclosed
WO-2015154029-A1 POTENT AND EFFICIENT CYTOTOXIC PEPTIDES AND ANTIBODY-DRUG CONJUGATES THEREOF ACES Pharma Inc. (US) 2015-10-08 WO disclosed
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2015-10-08 US disclosed
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2015-10-08 US disclosed
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2015-10-08 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 (2 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-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP L3MBTL1 261/4885SLC18A3 3196/4885MEN1 884/4885
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP L3MBTL1 261/4885SLC18A3 3196/4885MEN1 884/4885

“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.