SCHEMBL22896822

SCHEMBL22896822

NC(=O)C(=O)C(Cc1cccs1)NC(=O)c1sncc1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 10/20 0.40
▸ HPGDS O60760 2/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSPA1A P0DMV8 1/20 0.35
▸ HSPA5 P11021 1/20 0.35
▸ HSPA9 P38646 1/20 0.35
▸ HSPA2 P54652 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL22896775 0.87 CAPN1 (0.45) CAPN1HPGDSCTSS
SCHEMBL22897078 0.86 CAPN1 (0.40) CAPN1CTSSLMNAKMT2A
SCHEMBL22896808 0.86 CAPN1 (0.51) CAPN1CTSS
SCHEMBL22896336 0.86 CAPN1 (0.44) CAPN1USP30RAB9AESR1POLB
SCHEMBL22896575 0.84 CAPN1 (0.40) CAPN1POLBSMN1; SMN2CTSSLMNA
SCHEMBL22896181 0.84 CAPN1 (0.43) CAPN1HPGDSCTSS
SCHEMBL22897178 0.84 CAPN1 (0.44) CAPN1USP30RAB9ACTSS
SCHEMBL22896185 0.83 CAPN1 (0.42) CAPN1CTSS
SCHEMBL22896233 0.83 CAPN1 (0.46) CAPN1CTSS
SCHEMBL22896932 0.83 CAPN1 (0.43) CAPN1HPGDSUSP30RAB9AESR1

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 3/4885HPGDS 1604/4885USP30 748/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885HPGDS 1339/4885USP30 531/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885HPGDS 1604/4885USP30 748/4885

“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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