SCHEMBL5117826

SCHEMBL5117826

CC(C)(C)OC(=O)N1[CH]CSC1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 5/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
GPR119 Q8TDV5 1/20 0.43
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5344716 0.90 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1HSD17B10MEN1
SCHEMBL5117954 0.89 ALDH1A1 (0.39) ALDH1A1KDM4ENPSR1HSD17B10MEN1
SCHEMBL5124716 0.86 MAPK1 (0.37) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL5113170 0.86 MAPK1 (0.40) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL5117632 0.86 CACNA1B (0.40) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL7202408 0.86 MAPK1 (0.40) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL7039190 0.85 ALDH1A1 (0.36) ALDH1A1KDM4ENPSR1HSD17B10MEN1
SCHEMBL5112731 0.85 MAPT (0.43) ALDH1A1KDM4ENPSR1HSD17B10MEN1
SCHEMBL5113478 0.85 ALDH1A1 (0.54) ALDH1A1KDM4ENPSR1HSD17B10MEN1
SCHEMBL5117824 0.84 KDM4E (0.53) ALDH1A1KDM4ENPSR1HSD17B10MEN1

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
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 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

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 ALDH1A1 3281/4885KDM4E 3551/4885NPSR1 218/4885

“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.