SCHEMBL10057576

SCHEMBL10057576

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nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.41
CTSK P43235 3/20 0.41
DPP4 P27487 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
KMT2A Q03164 2/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
TRPA1 O75762 1/20 0.37
ATM Q13315 2/20 0.36
PTPN1 P18031 1/20 0.36
REN P00797 2/20 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
SCHEMBL571933 1.00 CTSS (0.41) CTSSCTSKDPP4AAK1KMT2A
SCHEMBL28759095 0.91 DPP4 (0.43) CTSSCTSKDPP4AAK1TRPA1
SCHEMBL29364846 0.91 DPP4 (0.43) CTSSCTSKDPP4AAK1TRPA1
SCHEMBL342708 0.91 DPP4 (0.43) CTSSCTSKDPP4AAK1TRPA1
SCHEMBL342707 0.91 DPP4 (0.43) CTSSCTSKDPP4AAK1TRPA1
SCHEMBL572252 0.90 REN (0.41) CTSSCTSKDPP4AAK1HDAC3
SCHEMBL14982916 0.90 REN (0.41) CTSSCTSKDPP4AAK1HDAC3
SCHEMBL572076 0.86 CTSS (0.48) CTSSCTSKDPP4HDAC3HDAC4
SCHEMBL14982900 0.86 CTSS (0.48) CTSSCTSKDPP4HDAC3HDAC4
SCHEMBL10057468 0.83 CTSS (0.54) CTSSCTSKPTPN1RENKLK5

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-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Corporate Campus (IN) 2013-05-30 US disclosed
US-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Corporate Campus (IN) 2013-05-30 US disclosed
WO-2012017391-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF CADILA PHARMACEUTICALS LIMITED (IN) 2012-02-09 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-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF DPP4, DPP7, DPP3 CTSS 443/4885CTSK 379/4885DPP4 1/4885

“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.