SCHEMBL5123633

SCHEMBL5123633

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)N(N)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.43
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.40
MCL1 Q07820 5/20 0.38
REN P00797 3/20 0.37
TACR1 P25103 2/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
HTRA1 Q92743 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL5123631 0.84 CACNA1B (0.54) CACNA1BATMHSD17B10MCL1REN
SCHEMBL7043905 0.84 ATM (0.40) CACNA1BATMHSD17B10TACR1
SCHEMBL5118885 0.83 ATM (0.44) CACNA1BATMHSD17B10MCL1HTRA1
SCHEMBL5355207 0.83 CACNA1B (0.49) CACNA1BATMHSD17B10TACR1MEN1
Hydrochloric Acid SCHEMBL5109962 0.83 ATM (0.40) CACNA1BATMHSD17B10TACR1
SCHEMBL5123677 0.83 ATM (0.40) CACNA1BATMHSD17B10RENTACR1
SCHEMBL5110973 0.82 CACNA1B (0.46) CACNA1BATMHSD17B10MCL1REN
SCHEMBL7037284 0.82 ATM (0.39) CACNA1BATMHSD17B10REN
SCHEMBL5124776 0.82 CACNA1B (0.47) CACNA1BRENF2PRSS1KMT2A
Bromide SCHEMBL5113742 0.81 CACNA1B (0.46) CACNA1BATMHSD17B10MCL1REN

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 3/4885ATM 2618/4885HSD17B10 4741/4885

“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.