SCHEMBL22800072

SCHEMBL22800072

C=CCOCc1ccccc1C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)N(C)OC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.34
▸ ICMT O60725 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CCKBR P32239 2/20 0.32
▸ CTSB P07858 5/20 0.32
▸ CTSS P25774 2/20 0.31
▸ CTSK P43235 2/20 0.31
▸ LIG1 P18858 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 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
SCHEMBL22799780 0.85 CAPN1 (0.36) CAPN1ICMTKMT2ACTSBCTSS
SCHEMBL22800074 0.83 ICMT (0.35) CAPN1ICMTKDM4EMEN1HTT
SCHEMBL22799638 0.80 KDM4E (0.38) CAPN1KDM4EMEN1HTTKMT2A
SCHEMBL22800057 0.77 — —
SCHEMBL22800763 0.76 JAK3 (0.52) SMN1; SMN2CTSBCTSSCTSKCTSL
SCHEMBL22800761 0.71 FAAH (0.37) MEN1KMT2APTPN1
SCHEMBL22800780 0.71 ICMT (0.37) CAPN1ICMTKDM4EMEN1HTT
SCHEMBL22799633 0.71 LIG1 (0.44) KDM4EMEN1KMT2ASMN1; SMN2LIG1
SCHEMBL22799765 0.70 MAPT (0.35) TDP1PTPN1
SCHEMBL22799781 0.69 ALDH1A1 (0.51) KDM4EHTTKMT2ASMN1; SMN2LIG1

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 3/4885ICMT 4672/4885KDM4E 1957/4885

“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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