SCHEMBL17322685

SCHEMBL17322685

CC(=O)CCCCCNC(=S)Nc1ccc(C[C@H](CN(CCN(CC(=O)O)CC(=O)O)COC=O)N(COC=O)COC=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
LMNA P02545 6/20 0.38
KMT2A Q03164 3/20 0.35
MAPT P10636 5/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
FOLH1 Q04609 1/20 0.32
HTT P42858 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
SCHEMBL17322682 0.93 ALDH1A1 (0.38) ALDH1A1LMNAKMT2AMAPTCA1
SCHEMBL17322684 0.92 ALDH1A1 (0.38) ALDH1A1LMNAKMT2AMAPTCA1
SCHEMBL17325863 0.88 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AMAPTCA1
SCHEMBL20079589 0.82 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMAPTCA1
SCHEMBL21554140 0.80 LMNA (0.42) ALDH1A1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL20079622 0.78 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AMAPTCA1
SCHEMBL13224653 0.78 LMNA (0.45) ALDH1A1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL15765285 0.77 CA2 (0.36) ALDH1A1LMNAKMT2AMAPTCA1
SCHEMBL13527700 0.74 HDAC1 (0.42) CA1CA2FOLH1
SCHEMBL10014305 0.74 CA1 (0.35) LMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950083-B2 Polypeptide and imaging method KYOTO UNIVERSITY (JP) 2018-04-24 US disclosed
US-20150352233-A1 Polypeptide and Imaging Method ARKRAY, INC. (JP) 2015-12-10 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 (1 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-20150352233-A1 Polypeptide and Imaging Method GLP1R, NGLY1, NPY1R ALDH1A1 3779/4885LMNA 677/4885KMT2A 1894/4885

“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.