SCHEMBL22896857

SCHEMBL22896857

NC(=O)C(=O)C(Cc1cccs1)NC(=O)c1nsnc1-c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CAPN1 P07384 3/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ F2 P00734 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KLKB1 P03952 1/20 0.36

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
SCHEMBL22897096 0.91 CAPN1 (0.40) ALDH1A1POLBPKMCAPN1RAB9A
SCHEMBL22897219 0.89 CAPN1 (0.42) ALDH1A1CAPN1RAB9ANPC1LMNA
SCHEMBL22896845 0.87 CAPN1 (0.44) CAPN1
SCHEMBL22896238 0.86 CAPN1 (0.45) CAPN1
SCHEMBL20028430 0.85 CAPN1 (0.51) CAPN1
SCHEMBL22896413 0.85 CAPN1 (0.40) CAPN1RAB9ANPC1LMNAHPGD
SCHEMBL22896201 0.84 ALDH1A1 (0.40) ALDH1A1POLBCAPN1KMT2AMEN1
SCHEMBL22896919 0.84 CAPN1 (0.42) CAPN1CYP3A4F2CYP2C9CYP2C19
SCHEMBL22896241 0.83 CAPN1 (0.43) CAPN1
SCHEMBL22896835 0.83 CAPN1 (0.41) CAPN1DYRK1A

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 ALDH1A1 4193/4885POLB 2724/4885PKM 1838/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885POLB 2408/4885PKM 1837/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885POLB 2724/4885PKM 1838/4885

“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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