SCHEMBL22800194

SCHEMBL22800194

C/C=C\C[C@@H](C=O)NC(=O)c1ccccc1COCCCCOC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 7/20 0.47
▸ CTSK P43235 3/20 0.39
▸ CTSS P25774 4/20 0.37
▸ ICMT O60725 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CTSB P07858 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22799717 0.88 CAPN1 (0.47) CAPN1CTSKCTSSKDM4ECTSB
SCHEMBL22799711 0.86 CAPN1 (0.47) CAPN1CTSKCTSSKDM4ECTSB
SCHEMBL22800135 0.77 CAPN1 (0.49) CAPN1CTSKCTSSICMTCTSB
SCHEMBL22800780 0.73 ICMT (0.37) CAPN1ICMTKDM4EMEN1HPGD
SCHEMBL22800782 0.72 ICMT (0.37) CAPN1CTSSICMTKDM4EHPGD
SCHEMBL22800781 0.71 CAPN1 (0.35) CAPN1ICMTKDM4EMEN1HPGD
SCHEMBL22800133 0.65 LIG1 (0.46) CAPN1CTSSKDM4EHDAC3HDAC1
SCHEMBL22800999 0.65 CAPN1 (0.47) CAPN1CTSKCTSS
SCHEMBL22800173 0.64 ALDH1A1 (0.46) KDM4EMEN1KMT2AHSD17B10
SCHEMBL10535843 0.64 NPSR1 (0.45) MEN1KMT2AHSD17B10

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 3/4885CTSK 118/4885CTSS 200/4885

“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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