SCHEMBL7109620

SCHEMBL7109620

COc1ccc(CC(C2CCCCC2)S(=O)(=O)NC(=O)[C@@H](C)NC(=O)[C@@H]2SCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
STS P08842 2/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
MCL1 Q07820 7/20 0.38
MMP1 P03956 4/20 0.36
MMP3 P08254 4/20 0.36
MMP2 P08253 3/20 0.36
PSMB8 P28062 1/20 0.35
MMP7 P09237 3/20 0.35
MMP9 P14780 3/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 3/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL7109849 1.00 MEN1 (0.41) MEN1KMT2ASTSALDH1A1POLB
SCHEMBL7110084 0.86 STS (0.53) MEN1KMT2ASTSALDH1A1POLB
SCHEMBL7109650 0.85 MEN1 (0.41) MEN1KMT2ASTSALDH1A1POLB
SCHEMBL7107638 0.79 MMP2 (0.40) KMT2AALDH1A1POLBMMP1MMP3
SCHEMBL7107121 0.75 MMP13 (0.35) MEN1KMT2APOLBMMP1MMP13
SCHEMBL7106612 0.75 ACACB (0.47) KMT2AALDH1A1POLBMMP1MMP3
SCHEMBL5357278 0.74 MEN1 (0.47) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL5345070 0.74 MEN1 (0.47) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL7110085 0.74 USP21 (0.39) MEN1KMT2AALDH1A1LMNAMCL1
SCHEMBL7105628 0.73 MEN1 (0.45) MEN1KMT2AALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed

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 MEN1 2633/4885KMT2A 1929/4885STS 2003/4885

“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.