SCHEMBL15251663

SCHEMBL15251663

CC(C)C[C@@H](C(=O)OCc1ccccc1)N(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSK P43235 6/20 0.41
CTSB P07858 2/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
SYK P43405 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39

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
SCHEMBL15252430 1.00 MAPT (0.44) MAPTXBP1NPSR1TDP1CTSK
SCHEMBL15251664 1.00 MAPT (0.44) MAPTXBP1NPSR1TDP1CTSK
SCHEMBL7439259 0.84 L3MBTL1 (0.43) MAPTXBP1NPSR1TDP1CTSK
SCHEMBL15251844 0.84 L3MBTL1 (0.41) MAPTXBP1NPSR1TDP1CTSK
SCHEMBL27853183 0.84 L3MBTL1 (0.41) MAPTXBP1NPSR1TDP1CTSK
SCHEMBL27853178 0.83 CTSK (0.48) MAPTXBP1NPSR1TDP1CTSK
SCHEMBL13519510 0.83 CTSK (0.48) MAPTXBP1NPSR1TDP1CTSK
SCHEMBL15251727 0.80 FKBP1A (0.47) CTSL
SCHEMBL15251728 0.80 FKBP1A (0.47) CTSL
SCHEMBL15251813 0.79 AAK1 (0.37) CTSKCTSBCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466961-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Li, Min (US) 2019-04-10 EP disclosed
US-9434760-B2 Prolinamide derivatives as thrombin inhibitors, preparation method and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-09-06 US disclosed
EP-2824097-A1 Prolinamide derivative as thrombin inhibitor, preparation method and application thereof Shanghai Institute of Pharmaceutical Industry (CN) 2015-01-14 EP disclosed
US-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-11-07 US disclosed
EP-2639230-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Pharmaceutical Industry (CN) 2013-09-18 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-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF PREP, TFPI, PEPD MAPT 3609/4885XBP1 1002/4885NPSR1 330/4885

“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.