SCHEMBL22897088

SCHEMBL22897088

NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nscc1-c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 19/20 0.53
▸ CTSS P25774 1/20 0.45
▸ ROCK2 O75116 1/20 0.44
▸ RPS6KA5 O75582 1/20 0.44
▸ RPS6KA4 O75676 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ IRAK1 P51617 1/20 0.44
▸ PRKX P51817 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ PRKG1 Q13976 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ SGK2 Q9HBY8 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43

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
SCHEMBL22897058 0.96 CAPN1 (0.57) CAPN1CTSSCTSLCTSB
SCHEMBL22896887 0.92 CAPN1 (0.52) CAPN1CTSS
SCHEMBL22896431 0.87 CAPN1 (0.52) CAPN1CTSS
SCHEMBL22896896 0.87 CAPN1 (0.49) CAPN1CTSS
SCHEMBL22897038 0.86 CAPN1 (0.47) CAPN1CTSS
SCHEMBL22897005 0.85 CAPN1 (0.53) CAPN1CTSS
SCHEMBL22897077 0.83 CAPN1 (0.57) CAPN1CTSSCTSLCTSB
SCHEMBL21854216 0.83 CAPN1 (0.52) CAPN1CTSS
SCHEMBL22896933 0.82 CAPN1 (0.50) CAPN1CTSSROCK2RPS6KA5RPS6KA4
SCHEMBL22896994 0.80 CAPN1 (0.52) CAPN1CTSSROCK2RPS6KA5RPS6KA4

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-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

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 CAPN1 3/4885CTSS 210/4885ROCK2 2213/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885CTSS 199/4885ROCK2 2168/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885CTSS 210/4885ROCK2 2213/4885

“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.

Send feedback