SCHEMBL7104098

SCHEMBL7104098

COc1ccc(CC(SNC(=O)[C@@H](C)NC(=O)[C@H]2NCCS2)C2CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ACACB O00763 1/20 0.37
MMP13 P45452 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PSMB8 P28062 3/20 0.36
PSMB5 P28074 3/20 0.36
PSMB9 P28065 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.34
POLB P06746 2/20 0.34
YAP1 P46937 1/20 0.34
TEAD4 Q15561 1/20 0.34

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
SCHEMBL7109633 0.87 EPHX2 (0.37) EPHX2ALDH1A1SMN1; SMN2ACACBMMP13
SCHEMBL7109634 0.87 EPHX2 (0.36) EPHX2ALDH1A1SMN1; SMN2ACACBMMP13
SCHEMBL6399627 0.83 EPHX2 (0.37) EPHX2ALDH1A1SMN1; SMN2ACACBMMP13
SCHEMBL7107638 0.83 MMP2 (0.40) EPHX2ALDH1A1SMN1; SMN2ACACBMMP13
SCHEMBL7112266 0.77 MEN1 (0.40) EPHX2ALDH1A1MMP13PSMB8PSMB5
SCHEMBL7772818 0.77 CACNA1B (0.39) EPHX2ALDH1A1SMN1; SMN2ACACBMMP13
SCHEMBL7768814 0.77 CACNA1B (0.39) EPHX2ALDH1A1SMN1; SMN2ACACBMMP13
SCHEMBL7110470 0.75 MEN1 (0.43) ALDH1A1ACACBPSMB8PSMB5PSMB9
SCHEMBL7105591 0.75 MEN1 (0.43) ALDH1A1ACACBPSMB8PSMB5PSMB9
SCHEMBL7110901 0.75 MEN1 (0.43) ALDH1A1ACACBPSMB8PSMB5PSMB9

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 EPHX2 1138/4885ALDH1A1 3065/4885SMN1; SMN2 297/4885

“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.