SCHEMBL5117954

SCHEMBL5117954

CC(C)(C)OC(=O)N1[CH]CSC1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
RAMP1 O60894 1/20 0.34
CALCRL Q16602 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP2C19 P33261 1/20 0.33
CACNA1B Q00975 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
TGFBR1 P36897 2/20 0.32
CYP3A4 P08684 1/20 0.32

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 0.93 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL5112731 0.91 MAPT (0.43) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL7039190 0.90 ALDH1A1 (0.36) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL5117826 0.89 ALDH1A1 (0.54) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL5117632 0.84 CACNA1B (0.40) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL7202408 0.84 MAPK1 (0.40) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL5113170 0.84 MAPK1 (0.40) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL5124716 0.84 MAPK1 (0.37) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL5116757 0.84 CYP3A4 (0.42) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL5117950 0.83 CACNA1B (0.46) ALDH1A1KDM4ENPSR1KMT2AMEN1

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
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 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.