SCHEMBL20028023

SCHEMBL20028023

O=C(N[C@H](CO)Cc1ccccc1)c1scnc1-n1ncc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.45
ROCK2 O75116 8/20 0.41
ROCK1 Q13464 8/20 0.41
MAPK1 P28482 3/20 0.41
RPS6KA5 O75582 2/20 0.41
RPS6KA4 O75676 2/20 0.41
PRKACA P17612 2/20 0.41
GSK3B P49841 2/20 0.41
PRKX P51817 2/20 0.41
PRKG1 Q13976 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
GSK3A P49840 1/20 0.41
IRAK1 P51617 1/20 0.41
PKN2 Q16513 1/20 0.41
SGK2 Q9HBY8 1/20 0.41
CYP3A4 P08684 1/20 0.39
EGFR P00533 2/20 0.38
ADORA2A P29274 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37

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
SCHEMBL20028029 1.00 PIN1 (0.45) PIN1ROCK2ROCK1MAPK1RPS6KA5
SCHEMBL22897297 0.85 CAPN1 (0.42) ITGB1ITGA4ITGB7
SCHEMBL20028635 0.85 CAPN1 (0.42) ITGB1ITGA4ITGB7
SCHEMBL30133621 0.85 CAPN1 (0.42) ITGB1ITGA4ITGB7
SCHEMBL20027528 0.84 CAPN1 (0.49) ITGB1ITGA4ITGB7
SCHEMBL21854362 0.84 CAPN1 (0.49) ITGB1ITGA4ITGB7
SCHEMBL21854168 0.80 CAPN1 (0.49) ITGB1ITGA4ITGB7NPC1RAB9A
SCHEMBL21854167 0.80 CAPN1 (0.49) ITGB1ITGA4ITGB7NPC1RAB9A
SCHEMBL20027596 0.79 CAPN1 (0.50) PIN1ROCK2ROCK1MAPK1RPS6KA5
SCHEMBL20028562 0.79 NPC1 (0.36) NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 PIN1 1946/4885ROCK2 2213/4885ROCK1 2297/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 PIN1 3072/4885ROCK2 2168/4885ROCK1 2425/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 PIN1 1946/4885ROCK2 2213/4885ROCK1 2297/4885

“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.