Sugi Predict

Sugi Predict / Compounds / SCHEMBL17138254

SCHEMBL17138254

SCHEMBL17138254

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ SLC18A3 Q16572 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ YAP1 P46937 1/20 0.35
▸ TEAD4 Q15561 1/20 0.35
▸ ATM Q13315 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ CPT2 P23786 1/20 0.34
▸ CPT1A P50416 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 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
SCHEMBL17138249 0.81 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2SLC18A3MEN1KMT2A
SCHEMBL17144784 0.81 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2SLC18A3MEN1KMT2A
SCHEMBL17138279 0.77 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2SLC18A3MEN1KMT2A
SCHEMBL17138261 0.73 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2SLC18A3MEN1KMT2A
SCHEMBL17138262 0.71 DPP4 (0.31) —
SCHEMBL17138281 0.66 SLC18A3 (0.48) L3MBTL1SLC18A3MEN1KMT2AATM
SCHEMBL17138280 0.66 SLC18A3 (0.48) L3MBTL1SLC18A3MEN1KMT2AATM
SCHEMBL17138272 0.65 L3MBTL1 (0.45) L3MBTL1SLC18A3MEN1KMT2AATM
SCHEMBL17138274 0.65 L3MBTL1 (0.45) L3MBTL1SLC18A3MEN1KMT2AATM
SCHEMBL11179311 0.63 NPC1 (0.53) L3MBTL1MEN1KMT2AATMALDH1A1

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 3 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-9260478-B2 Potent and efficient cytotoxic peptides and antibody-drug conjugates thereof and their synthesis HU SHANGHUI (US) 2016-02-16 — — 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 261/4885SMN1; SMN2 3512/4885SLC18A3 3196/4885
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP L3MBTL1 261/4885SMN1; SMN2 3512/4885SLC18A3 3196/4885

“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.