SCHEMBL7106612

SCHEMBL7106612

COc1ccc(CC(C2CCCCC2)S(=O)(=O)NC(=O)[C@@H](C)NC(=O)C2CCOC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.47
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
PSMB8 P28062 7/20 0.41
PSMB5 P28074 4/20 0.41
PSMB9 P28065 4/20 0.41
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
PSMB10 P40306 2/20 0.39
MMP13 P45452 1/20 0.38
PSMB2 P49721 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL7110084 0.81 STS (0.53) ALDH1A1POLBMMP1MMP2MMP3
SCHEMBL7107638 0.80 MMP2 (0.40) ACACBALDH1A1POLBMMP1MMP2
SCHEMBL7109650 0.76 MEN1 (0.41) ALDH1A1POLBPSMB8PSMB5KMT2A
SCHEMBL7109849 0.75 MEN1 (0.41) ALDH1A1POLBMMP1MMP2MMP3
SCHEMBL7109620 0.75 MEN1 (0.41) ALDH1A1POLBMMP1MMP2MMP3
SCHEMBL20821123 0.73 PSMB8 (0.60) ACACBITGB1ITGA4PSMB8PSMB5
SCHEMBL20821120 0.73 PSMB8 (0.54) ACACBITGB1ITGA4PSMB8PSMB5
SCHEMBL16118918 0.72 PSMB8 (0.78) PSMB8PSMB5PSMB9PSMB10PSMB2
SCHEMBL16119358 0.72 PSMB8 (0.78) PSMB8PSMB5PSMB9PSMB10PSMB2
SCHEMBL16118930 0.72 PSMB8 (0.78) PSMB8PSMB5PSMB9PSMB10PSMB2

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 ACACB 1823/4885ITGB1 2162/4885ITGA4 4190/4885

“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.