SCHEMBL17138237

SCHEMBL17138237

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

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8410738 0.71
SCHEMBL17138262 0.69 DPP4 (0.31)
SCHEMBL17144498 0.66 EPHX1 (0.35)
SCHEMBL15667738 0.66 CTSS (0.33) ALDH1A1
SCHEMBL18896270 0.63 SHBG (0.33) ALDH1A1SMN1; SMN2
SCHEMBL4970041 0.63 MMP2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL4969967 0.63 GAA (0.41)
Hydrochloric Acid SCHEMBL31185249 0.62 TUBB1 (0.30)
SCHEMBL5679173 0.62 MMP2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL5053987 0.62 MMP2 (0.39) ALDH1A1SMN1; 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 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 ALDH1A1 4096/4885SMN1; SMN2 3512/4885
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP ALDH1A1 4096/4885SMN1; SMN2 3512/4885

“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.