SCHEMBL22896336

SCHEMBL22896336

NC(=O)C(=O)C(Cc1cccs1)NC(=O)c1cnsc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 16/20 0.44
▸ RAB9A P51151 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ESR2 Q92731 1/20 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
SCHEMBL22896865 0.86 CAPN1 (0.45) CAPN1CTSS
SCHEMBL22896966 0.86 CAPN1 (0.56) CAPN1CTSS
SCHEMBL22896822 0.86 CAPN1 (0.40) CAPN1RAB9ACTSSUSP30ESR1
SCHEMBL22896622 0.84 CAPN1 (0.44) CAPN1RAB9ACTSSUSP30
SCHEMBL22896867 0.84 CAPN1 (0.48) CAPN1CTSS
SCHEMBL22896454 0.84 CAPN1 (0.44) CAPN1CTSS
SCHEMBL22896771 0.83 CAPN1 (0.43) CAPN1CTSSUSP30
SCHEMBL22896515 0.83 CAPN1 (0.49) CAPN1RAB9ACTSSUSP30
SCHEMBL22896964 0.83 CAPN1 (0.51) CAPN1CTSS
SCHEMBL22897178 0.83 CAPN1 (0.44) CAPN1RAB9ACTSSUSP30

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 3/4885RAB9A 2461/4885CTSS 210/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885RAB9A 2055/4885CTSS 199/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885RAB9A 2461/4885CTSS 210/4885

“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.

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