SCHEMBL17138249

SCHEMBL17138249

CO[C@H](CC(=O)OC(C)(C)C)[C@H](C1CCCC1)N(C)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CACNA1B Q00975 2/20 0.38
SLC18A3 Q16572 1/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKT1 P31749 2/20 0.36
REN P00797 2/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL17144784 1.00 L3MBTL1 (0.42) L3MBTL1HTR2CSLC6A4JAK2JAK1
SCHEMBL5565367 0.81 RIPK1 (0.41) SLC6A4KMT2AAKT1MEN1CTSL
SCHEMBL17138254 0.81 L3MBTL1 (0.43) L3MBTL1HTR2CSLC6A4JAK2JAK1
SCHEMBL5559510 0.79 AKT1 (0.39) SLC6A4KMT2AAKT1MEN1CTSL
SCHEMBL17138236 0.78 CTSL (0.47) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL17138232 0.78 CTSL (0.47) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL18810468 0.76 USP2 (0.38) SLC6A4KMT2AAKT1MEN1CTSL
SCHEMBL5658170 0.76 USP2 (0.38) SLC6A4KMT2AAKT1MEN1CTSL
SCHEMBL18522980 0.76 USP2 (0.38) SLC6A4KMT2AAKT1MEN1CTSL
SCHEMBL17138279 0.75 L3MBTL1 (0.44) L3MBTL1SLC6A4SLC18A3KMT2ASMN1; SMN2

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 261/4885HTR2C 4758/4885SLC6A4 3250/4885
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP L3MBTL1 261/4885HTR2C 4758/4885SLC6A4 3250/4885

“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.