SCHEMBL3751560

SCHEMBL3751560

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 11/20 0.48
ELOVL6 Q9H5J4 2/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
MMP13 P45452 4/20 0.37
MMP1 P03956 3/20 0.37
MMP3 P08254 3/20 0.37
MMP7 P09237 3/20 0.37
MMP9 P14780 3/20 0.37
MMP8 P22894 3/20 0.37
MMP2 P08253 2/20 0.37
CACNA1B Q00975 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3742710 0.92 STS (0.51) STSELOVL6HRH1CCR3MMP13
SCHEMBL8089162 0.85 STS (0.50) STSELOVL6HRH1CCR3CACNA1B
SCHEMBL13045261 0.83 GAA (0.44) STSCACNA1BKMT2A
SCHEMBL3751310 0.76 GPR119 (0.42)
SCHEMBL8079018 0.76 CHRM1 (0.54)
SCHEMBL894936 0.73 CHRM2 (0.38) KMT2A
SCHEMBL10026719 0.73 CHRM2 (0.38) KMT2A
SCHEMBL3752853 0.72 ALDH1A1 (0.39) MMP13
SCHEMBL3748764 0.72 CTSL (0.50) KMT2A
SCHEMBL3744365 0.72 CTSL (0.50) KMT2A

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 2 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

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 2135/4885ELOVL6 1589/4885HRH1 4176/4885

“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.