SCHEMBL5114337

SCHEMBL5114337

COc1ccc(C(=O)N2CCC(NC(=S)[C@@H](CCC3CCCCC3)NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
CACNA1B Q00975 2/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
NAMPT P43490 1/20 0.43
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
MEN1 O00255 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5114278 0.91 EPHX2 (0.47) EPHX2ALDH1A1LMNAKMT2ANAMPT
SCHEMBL5123707 0.87 CACNA1B (0.50) CACNA1BALDH1A1LMNAHRH2HRH1
SCHEMBL5113479 0.85 EPHX2 (0.46) EPHX2CACNA1BALDH1A1LMNAKMT2A
SCHEMBL5117553 0.82 EPHX2 (0.48) EPHX2ALDH1A1KMT2AMEN1NPC1
SCHEMBL5114334 0.82 EPHX2 (0.49) EPHX2CACNA1BALDH1A1LMNAKMT2A
SCHEMBL5351867 0.81 HDAC4 (0.47) CACNA1BHRH2HRH1HDAC4HDAC1
SCHEMBL5351302 0.80 CKS1B (0.43) KMT2AHDAC4HDAC1HDAC6
SCHEMBL5110138 0.79 BCHE (0.51) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL5116776 0.79 BCHE (0.51) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL5116779 0.79 BCHE (0.51) ALDH1A1LMNAKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US claimed
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 EPHX2 2908/4885CACNA1B 3/4885ALDH1A1 3281/4885

“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.