SCHEMBL22886609

SCHEMBL22886609

NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 3/20 0.45
▸ CCR1 P32246 3/20 0.40
▸ HPGDS O60760 7/20 0.39
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ EGLN2 Q96KS0 2/20 0.37
▸ EGLN1 Q9GZT9 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CTSD P07339 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ FCER2 P06734 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
SCHEMBL20028423 0.93 CDC7 (0.42) PYGLCCR1HPGDSCTSD
SCHEMBL20028427 0.91 PYGL (0.41) PYGLCCR1HPGDSCNR1EGLN2
SCHEMBL22886770 0.88 PYGL (0.38) PYGLCCR1EGLN2EGLN1GAA
SCHEMBL22886428 0.88 PYGL (0.48) PYGLEGLN2EGLN1GAA
SCHEMBL20028429 0.86 PYGL (0.42) PYGLCCR1HPGDSCTSD
SCHEMBL20028424 0.83 PYGL (0.40) PYGLCCR1HPGDS
SCHEMBL21854063 0.82 CAPN1 (0.53) —
SCHEMBL20028431 0.82 CAPN1 (0.53) —
SCHEMBL22886430 0.82 PYGL (0.41) PYGLCCR1HPGDSEGLN2EGLN1
SCHEMBL22886426 0.80 FTO (0.42) HPGDS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 — — 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 (1 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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 PYGL 719/4885CCR1 3791/4885HPGDS 2714/4885

“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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