SCHEMBL22885969

SCHEMBL22885969

COC(=O)c1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.48
▸ PYGL P06737 2/20 0.43
▸ F2 P00734 4/20 0.43
▸ F10 P00742 4/20 0.43
▸ PRSS1 P07477 4/20 0.43
▸ ADCY10 Q96PN6 1/20 0.43
▸ PRSS2 P07478 2/20 0.42
▸ PRSS3 P35030 2/20 0.42
▸ HPGDS O60760 2/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ JMJD6 Q6NYC1 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38

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
SCHEMBL22885968 0.90 DCAF1 (0.49) DCAF1PYGLF2F10PRSS1
SCHEMBL22897214 0.87 DCAF1 (0.51) DCAF1PYGLF2F10PRSS1
SCHEMBL20028717 0.86 DCAF1 (0.50) DCAF1PYGLF2F10PRSS1
SCHEMBL20027723 0.82 PYGL (0.52) DCAF1PYGLF2F10PRSS1
SCHEMBL22897243 0.81 DCAF1 (0.51) DCAF1PYGLCTSVCTSLCTSS
SCHEMBL20027718 0.81 DCAF1 (0.51) DCAF1PYGLCTSVCTSLCTSS
SCHEMBL20027914 0.81 DCAF1 (0.48) DCAF1PYGLKMT2A
SCHEMBL22886627 0.81 PYGL (0.48) DCAF1PYGLF2F10PRSS1
SCHEMBL22886540 0.79 PYGL (0.44) DCAF1PYGL
SCHEMBL20027617 0.78 PYGL (0.43) DCAF1PYGLCTSVCTSLCTSS

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 DCAF1 2355/4885PYGL 719/4885F2 4704/4885

“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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