SCHEMBL165351

SCHEMBL165351

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nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
CTSK P43235 13/20 0.47
CTSS P25774 13/20 0.47
CTSL P07711 4/20 0.44
CTSB P07858 3/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL165350 1.00 CYP2D6 (0.53) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL28668862 0.88 CYP1A2 (0.49) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL28668864 0.88 CYP1A2 (0.49) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL26110452 0.87 CTSS (0.50) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL26110455 0.87 CTSS (0.50) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL2719723 0.87 CTSS (0.50) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL15071355 0.87 CTSK (0.47) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL8719643 0.85 CYP2D6 (0.54) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL3498621 0.85 CYP2D6 (0.54) CYP2D6CTSKCTSSCTSLCTSB
SCHEMBL15544233 0.83 CYP2D6 (0.53) CYP2D6CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611776-B1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG LIFE SCIENCES LTD (KR) 2016-09-21 EP disclosed
US-8741927-B2 Production method of intermediate compound for synthesizing medicament LG LIFE SCIENCES LTD. (KR) 2014-06-03 US disclosed
US-8741927-B2 Production method of intermediate compound for synthesizing medicament LG LIFE SCIENCES LTD. (KR) 2014-06-03 US disclosed
EP-2611776-A2 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG Life Sciences Ltd (KR) 2013-07-10 EP disclosed
US-20130165659-A1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG LIFE SCIENCES LTD. (KR) 2013-06-27 US disclosed
US-20130165659-A1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG LIFE SCIENCES LTD. (KR) 2013-06-27 US disclosed
WO-2012030106-A2 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG LIFE SCIENCES LTD. (KR) 2012-03-08 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-20130165659-A1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT DPP4, DPP7, DPP8 CYP2D6 147/4885CTSK 272/4885CTSS 437/4885

“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.