SCHEMBL21707855

SCHEMBL21707855

CC[C@@H](F)c1ncc(Cc2ccc(O)cc2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.53
BRS3 P32247 5/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
DAO P14920 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
NPC1 O15118 1/20 0.33
STAT3 P40763 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AOC3 Q16853 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL21707863 0.87 CAPN1 (0.71) CAPN1BRS3DAOALDH1A1AOC3
SCHEMBL21707884 0.84 CAPN1 (0.74) CAPN1BRS3ESR1ESR2DAO
SCHEMBL20204670 0.74 CAPN1 (0.49) CAPN1ESR1ESR2GPR84
SCHEMBL21707883 0.72 CAPN1 (0.77) CAPN1BRS3DAOAOC3HDAC3
SCHEMBL20204597 0.70 CAPN1 (0.55) CAPN1BRS3DAOALDH1A1GPR84
SCHEMBL21333942 0.70 CAPN1 (1.00) CAPN1BRS3DAOAOC3HDAC3
SCHEMBL10567513 0.67 ESR1 (0.45) CAPN1BRS3ESR1ESR2ALDH1A1
SCHEMBL12598583 0.67 AOC3 (0.69) ESR1ESR2ALDH1A1AOC3
SCHEMBL11844389 0.62 DAO (0.50) ESR1ESR2DAOMAPTNPC1
SCHEMBL10651125 0.62 LMNA (0.49)

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 81/4885BRS3 3707/4885ESR1 1853/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CAPN1 81/4885BRS3 3707/4885ESR1 1853/4885

“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.