SCHEMBL5117020

SCHEMBL5117020

COCOc1cc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)OC(C)(C)C)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.42
AAK1 Q2M2I8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSD P07339 5/20 0.40
PPARG P37231 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
REN P00797 2/20 0.38

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
SCHEMBL5344714 0.90 NPC1 (0.49) CACNA1BCTSDPPARGCTSKALDH1A1
SCHEMBL5117016 0.83 CACNA1B (0.43) CACNA1BAAK1MEN1KMT2ACTSD
SCHEMBL5124536 0.81 CTSK (0.47) CACNA1BCTSSCTSKALDH1A1LMNA
SCHEMBL4846824 0.77 CTSK (0.46) CACNA1BCTSSCTSKALDH1A1LMNA
SCHEMBL5349089 0.77 PSMB1 (0.51) CACNA1BCTSK
SCHEMBL5124003 0.76 CTSK (0.45) CACNA1BCTSSCTSKCYP3A4REN
SCHEMBL5355126 0.75 MAPK14 (0.42) CACNA1BMEN1KMT2ACTSSCTSK
SCHEMBL5348092 0.75 NPC1 (0.45) CACNA1BMEN1KMT2ACTSDALDH1A1
SCHEMBL5351816 0.74 GRN (0.43) CACNA1BCTSSCTSKCYP3A4REN
SCHEMBL5753387 0.74 CACNA1B (0.58) CACNA1BMEN1KMT2APPARGCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP claimed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US disclosed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CACNA1B 3/4885AAK1 1035/4885MEN1 337/4885

“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.