SCHEMBL4843577

SCHEMBL4843577

CC(C)(C)OC(=O)N1CSC[C@H]1OC=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
HSD17B10 Q99714 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PREP P48147 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H2 P55055 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9878022 0.80 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL16857528 0.78 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL3199170 0.78 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL5307200 0.78 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL4916290 0.76 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3PREP
SCHEMBL12203690 0.76 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL14209894 0.76 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL27538723 0.76 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL9879848 0.75 ATM (0.44) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL8171468 0.74 ATM (0.38) ATMHSD17B10CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1B, CACNA1A ATM 2523/4885HSD17B10 4740/4885CHRM2 637/4885

“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.