SCHEMBL7107079

SCHEMBL7107079

COc1ccc(CC(SNC(=O)[C@@H](C)NC(=O)[C@@H]2CSCN2)C2CCCCC2)cc1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
MMP1 P03956 4/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
CTSD P07339 3/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
REN P00797 1/20 0.37
BCHE P06276 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL7108120 0.88 HTR2C (0.42) NPC1RAB9A
Hydrochloric Acid SCHEMBL7774712 0.82 CACNA1B (0.38) LMNA
SCHEMBL7109633 0.77 EPHX2 (0.37) NPC1RAB9AMMP13ALDH1A1LMNA
SCHEMBL7109533 0.76 CACNA1B (0.38) LMNA
SCHEMBL5351453 0.76 CACNA1B (0.47) NPC1RAB9APKMMMP1MMP3
Hydrochloric Acid SCHEMBL5351726 0.75 CACNA1B (0.47) NPC1RAB9APKMMMP1MMP3
SCHEMBL5753816 0.74 NPC1 (0.37) NPC1RAB9APKMMMP1MMP2
SCHEMBL5351459 0.74 NPC1 (0.47) NPC1RAB9APKMCTSDALDH1A1
Hydrochloric Acid SCHEMBL5351733 0.73 NPC1 (0.46) NPC1RAB9APKMCTSDALDH1A1
SCHEMBL7774544 0.67 CYP2C19 (0.39)

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 NPC1 534/4885RAB9A 2425/4885PKM 3859/4885

“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.