SCHEMBL5118865

SCHEMBL5118865

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](C(=S)NC1CCN(Cc2ccccc2)CC1)C(C)(C)CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL5124110 0.89 CYP2C19 (0.44) CYP2C19SMN1; SMN2ATMHSD17B10DPP7
SCHEMBL5123449 0.89 CYP2C19 (0.44) CYP2C19SMN1; SMN2ATMHSD17B10DPP7
SCHEMBL5123437 0.89 CYP2C19 (0.44) CYP2C19SMN1; SMN2ATMHSD17B10DPP7
SCHEMBL5124757 0.89 CYP2C19 (0.44) CYP2C19SMN1; SMN2ATMHSD17B10DPP7
SCHEMBL4564775 0.89 CYP2C19 (0.44) CYP2C19SMN1; SMN2ATMHSD17B10DPP7
Bromide SCHEMBL5123871 0.88 CYP2C19 (0.44) CYP2C19SMN1; SMN2ATMHSD17B10DPP7
Hydrochloric Acid SCHEMBL5117576 0.88 CYP2C19 (0.44) CYP2C19SMN1; SMN2ATMHSD17B10DPP7
SCHEMBL5117048 0.88 CYP2C19 (0.43) CYP2C19SMN1; SMN2ATMSIGMAR1HSD17B10
Hydrochloric Acid SCHEMBL5125644 0.87 CYP2C19 (0.43) CYP2C19SMN1; SMN2ATMSIGMAR1HSD17B10
SCHEMBL5124000 0.84 CYP2C19 (0.47) CYP2C19SMN1; SMN2POLBSIGMAR1DPP7

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 CYP2C19 3106/4885SMN1; SMN2 172/4885ATM 2618/4885

“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.