SCHEMBL22886770

SCHEMBL22886770

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 5/20 0.38
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ EGLN2 Q96KS0 2/20 0.36
▸ EGLN1 Q9GZT9 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ XIAP P98170 1/20 0.35
▸ CAPN1 P07384 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
SCHEMBL22886428 0.89 PYGL (0.48) PYGLF2F10PRSS1EGLN2
SCHEMBL22886609 0.88 PYGL (0.45) PYGLEGLN2EGLN1CCR1GAA
SCHEMBL20028423 0.82 CDC7 (0.42) PYGLROCK2ROCK1CCR1
SCHEMBL22886773 0.82 CAPN1 (0.51) TACR3CAPN1
SCHEMBL20028427 0.82 PYGL (0.41) PYGLF2F10PRSS1EGLN2
SCHEMBL21410716 0.78 FTO (0.42) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20028431 0.76 CAPN1 (0.53) CTSLCAPN1
SCHEMBL21854063 0.76 CAPN1 (0.53) CTSLCAPN1
SCHEMBL22886426 0.75 FTO (0.42) ALDH1A1CAPN1
SCHEMBL20028429 0.75 PYGL (0.42) PYGLCCR1CAPN1

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 719/4885F2 4704/4885F10 4138/4885

“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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