SCHEMBL21707883

SCHEMBL21707883

CCC(C)c1ncc(Cc2ccccc2)[nH]c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.77
AOC3 Q16853 1/20 0.48
NR3C2 P08235 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
DAO P14920 4/20 0.40
BRS3 P32247 2/20 0.39
PLA2G7 Q13093 3/20 0.39
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM3B Q7LBC6 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
PARP1 P09874 1/20 0.38
TSHR P16473 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
SCHEMBL21333942 0.87 CAPN1 (1.00) CAPN1AOC3NR3C2HDAC3HDAC1
SCHEMBL20204667 0.86 CAPN1 (0.58) CAPN1AOC3MEN1GAAKMT2A
SCHEMBL21707863 0.85 CAPN1 (0.71) CAPN1AOC3NR3C2HDAC3HDAC1
SCHEMBL20204740 0.79 CAPN1 (0.49) CAPN1MEN1KMT2ATSHR
SCHEMBL20204635 0.78 CAPN1 (0.48) CAPN1MEN1KMT2AHTT
SCHEMBL20204634 0.78 CAPN1 (0.46) CAPN1DAOPARP1TSHR
SCHEMBL21707859 0.76 CAPN1 (0.66) CAPN1AOC3NR3C2GAADAO
SCHEMBL21707862 0.75 CAPN1 (0.61) CAPN1AOC3GAAKMT2ADAO
SCHEMBL20204711 0.74 CAPN1 (0.63) CAPN1AOC3GAAKMT2ADAO
SCHEMBL21707884 0.73 CAPN1 (0.74) CAPN1AOC3DAOBRS3KDM4A

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 3750/4885NR3C2 4652/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CAPN1 81/4885AOC3 3750/4885NR3C2 4652/4885

“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.