SCHEMBL5350565

SCHEMBL5350565

COc1ccc(CNC(=O)[C@H](C(=O)OC(C)(C)C)C(N)SCc2ccncc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
NAMPT P43490 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL5353575 0.94 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5361510 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ARAB9ATSHR
SCHEMBL3026073 0.82 EPHX1 (0.46) HTTL3MBTL1
SCHEMBL5353966 0.81 CYSLTR1 (0.41) ALDH1A1MEN1KMT2ATSHR
SCHEMBL3029294 0.80 EPHX1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5350559 0.77 PPARG (0.62) ALDH1A1SMN1; SMN2
SCHEMBL5350575 0.72 ALDH1A1 (0.43) ALDH1A1NAMPTMEN1KMT2ARAB9A
SCHEMBL5350568 0.71 PPARG (0.43) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL10143918 0.70 ALDH1A1 (0.67) ALDH1A1NAMPTRAB9ACDK2GSK3B
SCHEMBL5350147 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A ALDH1A1 3065/4885NAMPT 3261/4885MEN1 2633/4885

“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.