SCHEMBL21707863

SCHEMBL21707863

CC[C@@H](F)c1ncc(Cc2ccccc2)[nH]c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.71
AOC3 Q16853 1/20 0.47
BRS3 P32247 5/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
DAO P14920 3/20 0.39
PLA2G7 Q13093 3/20 0.38
NR3C2 P08235 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM3B Q7LBC6 1/20 0.38
HIF1AN Q9NWT6 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL21707855 0.87 CAPN1 (0.53) CAPN1AOC3BRS3HDAC3HDAC1
SCHEMBL21707883 0.85 CAPN1 (0.77) CAPN1AOC3BRS3HDAC3HDAC1
SCHEMBL21333942 0.83 CAPN1 (1.00) CAPN1AOC3BRS3HDAC3HDAC1
SCHEMBL21707862 0.74 CAPN1 (0.61) CAPN1AOC3BRS3DAOALDH1A1
SCHEMBL20204711 0.73 CAPN1 (0.63) CAPN1AOC3BRS3DAOPLA2G7
SCHEMBL21707859 0.72 CAPN1 (0.66) CAPN1AOC3BRS3DAOPLA2G7
SCHEMBL20204667 0.72 CAPN1 (0.58) CAPN1AOC3BRS3DAOKDM4A
SCHEMBL19087071 0.71 AOC3 (0.59) CAPN1AOC3BRS3
SCHEMBL23886056 0.70 CAPN1 (0.55) CAPN1AOC3DAOPLA2G7KDM6B
SCHEMBL21707884 0.69 CAPN1 (0.74) CAPN1AOC3BRS3DAOKDM4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 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 (2 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-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL CAPN1 81/4885AOC3 3750/4885BRS3 3707/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CAPN1 81/4885AOC3 3750/4885BRS3 3707/4885

“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.