SCHEMBL22896286

SCHEMBL22896286

NC(=O)C(=O)C(Cc1csc2ccccc12)NC(=O)c1nsnc1-c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.42
▸ CALCRL Q16602 1/20 0.40
▸ CAPN1 P07384 7/20 0.40
▸ TACR1 P25103 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ DHPS P49366 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ DYRK1A Q13627 2/20 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
SCHEMBL22896930 0.92 F10 (0.43) F10CALCRLCAPN1TACR1ROCK2
SCHEMBL22897201 0.91 F10 (0.45) F10CALCRLCAPN1TACR1MMP2
SCHEMBL22896818 0.86 F10 (0.45) F10CAPN1TACR1MMP2MMP9
SCHEMBL22896715 0.85 CAPN1 (0.42) F10CAPN1TACR1MMP2MMP9
SCHEMBL22896298 0.83 PSMB5 (0.45) CAPN1
SCHEMBL22896694 0.83 GAA (0.49) GAAHTTSMN1; SMN2
SCHEMBL22896238 0.82 CAPN1 (0.45) CAPN1CTSLCTSSCTSK
SCHEMBL22896058 0.82 CAPN1 (0.40) F10CAPN1ROCK2CTSS
SCHEMBL22896241 0.82 CAPN1 (0.43) CAPN1CTSSCTSK
SCHEMBL22896845 0.81 CAPN1 (0.44) CAPN1CTSS

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 F10 4552/4885CALCRL 1262/4885CAPN1 3/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 F10 4424/4885CALCRL 2107/4885CAPN1 4/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 F10 4552/4885CALCRL 1262/4885CAPN1 3/4885

“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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