SCHEMBL22799653

SCHEMBL22799653

C=CCCOc1nccc(-c2ccccc2C(=O)N[C@@H](CC=C)C(=O)N(C)OC)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK8 P45983 3/20 0.32
▸ CAPN1 P07384 5/20 0.32
▸ EGFR P00533 2/20 0.31
▸ PDCD1LG2 Q9BQ51 2/20 0.31
▸ CD274 Q9NZQ7 2/20 0.31
▸ SLC37A4 O43826 1/20 0.31
▸ PIK3CA P42336 1/20 0.31

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
SCHEMBL22800303 0.86 FNTA (0.35) KDM4ECAPN1SLC37A4
SCHEMBL22799645 0.85 EDNRA (0.33) KDM4ECAPN1SLC37A4
SCHEMBL22800283 0.82 FNTA (0.34) KDM4ECAPN1
SCHEMBL22800181 0.82 KDM4E (0.37) KDM4E
SCHEMBL22800873 0.81 JAK3 (0.33) KDM4E
SCHEMBL22799654 0.79 SLC6A3 (0.41) KDM4EMAPK8CD274
SCHEMBL22800990 0.78 FNTA (0.35) KDM4E
SCHEMBL22800170 0.76 KDM4E (0.43) KDM4E
SCHEMBL22800150 0.76 KDM4E (0.42) KDM4E
SCHEMBL22799652 0.75 KDM4E (0.44) KDM4EMAPK8SLC37A4PIK3CA

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 KDM4E 1957/4885MAPK8 2460/4885CAPN1 3/4885

“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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