SCHEMBL22800135

SCHEMBL22800135

C=CC[C@@H](C=O)NC(=O)c1ccccc1COCCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 7/20 0.49
▸ CTSS P25774 4/20 0.41
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CTSK P43235 3/20 0.38
▸ CTSB P07858 1/20 0.35
▸ ICMT O60725 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
SCHEMBL22799711 0.89 CAPN1 (0.47) CAPN1CTSSCTSKCTSB
SCHEMBL22799717 0.89 CAPN1 (0.47) CAPN1CTSSCTSKCTSB
SCHEMBL22800999 0.81 CAPN1 (0.47) CAPN1CTSSMAPTCTSK
SCHEMBL22799838 0.78 ALDH1A1 (0.51) CAPN1MAPT
SCHEMBL22800194 0.77 CAPN1 (0.47) CAPN1CTSSCTSKCTSBICMT
SCHEMBL22800133 0.74 LIG1 (0.46) CAPN1CTSS
SCHEMBL22800223 0.71 ICMT (0.36) CAPN1MAPTICMT
SCHEMBL22800186 0.70 ICMT (0.37) CAPN1MAPTGAAATMICMT
SCHEMBL6043415 0.70 TP53 (0.50) —
SCHEMBL6043222 0.68 ALDH1A1 (0.69) —

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 CAPN1 3/4885CTSS 200/4885MAPT 472/4885

“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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