SCHEMBL17397520

SCHEMBL17397520

COc1cccc(CN(Cc2cccs2)C(=O)[C@H](CCC[CH]Cc2ccccc2)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ CTSK P43235 4/20 0.42
▸ CTSS P25774 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CACNA1B Q00975 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ BTK Q06187 1/20 0.38

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
SCHEMBL17397505 0.88 CTSK (0.55) TSHRCTSKCTSSCACNA1B
SCHEMBL15238943 0.88 TSHR (0.47) TSHRCTSKCTSSMEN1KMT2A
SCHEMBL15238831 0.88 TSHR (0.47) TSHRCTSKCTSSMEN1KMT2A
SCHEMBL28820410 0.88 TSHR (0.47) TSHRCTSKCTSSMEN1KMT2A
SCHEMBL6121963 0.87 CTSK (0.46) TSHRCTSKCTSSMEN1KMT2A
SCHEMBL6121854 0.87 CTSK (0.46) TSHRCTSKCTSSMEN1KMT2A
SCHEMBL17009266 0.87 CTSK (0.48) CTSKCTSS
SCHEMBL16762045 0.86 CTSK (0.46) TSHRCTSKCTSSMEN1KMT2A
SCHEMBL16762228 0.86 CTSK (0.46) TSHRCTSKCTSSMEN1KMT2A
SCHEMBL17009335 0.85 PPARG (0.43) CTSKCTSS

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
EP-3164127-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS, LLC (US) 2017-05-10 — — EP disclosed
WO-2016003980-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS LLC (US) 2016-01-07 — — WO disclosed
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