SCHEMBL8089162

SCHEMBL8089162

COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2C(=O)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STS P08842 13/20 0.50
CACNA1B Q00975 1/20 0.39
ELOVL6 Q9H5J4 2/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
BCL2 P10415 1/20 0.35
ELANE P08246 2/20 0.34

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
SCHEMBL3751560 0.85 STS (0.48) STSCACNA1BELOVL6HRH1CCR3
SCHEMBL3742710 0.84 STS (0.51) STSELOVL6HRH1CCR3
SCHEMBL10060683 0.74 CYP2D6 (0.38) CACNA1BELANE
SCHEMBL7849129 0.74 CYP2D6 (0.38) CACNA1BELANE
SCHEMBL13078574 0.74 ALDH1A1 (0.35)
SCHEMBL13078575 0.73 CTSL (0.46) CACNA1B
SCHEMBL13078576 0.73 DPP4 (0.37) CACNA1BELANE
SCHEMBL8081003 0.73 CACNA1B (0.38) CACNA1B
SCHEMBL13078813 0.72 CTSK (0.34) CACNA1BELANE
SCHEMBL8092352 0.71 MGLL (0.37) CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 STS 2135/4885CACNA1B 3223/4885ELOVL6 1589/4885

“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.