SCHEMBL18675828

SCHEMBL18675828

CC(=O)c1c(F)ccc(Br)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.37
RXFP1 Q9HBX9 3/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
THRB P10828 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL14786070 0.84 CES2 (0.35) CES2CES1NPC1RAB9AKMT2A
SCHEMBL29644100 0.84 CES2 (0.35) CES2CES1NPC1RAB9AKMT2A
SCHEMBL10325437 0.82 CES2 (0.37) PKMRXFP1CES2CES1THRB
SCHEMBL21621671 0.79 LMNA (0.43) RXFP1NPC1RAB9AKMT2AMEN1
SCHEMBL31024688 0.79 LMNA (0.43) RXFP1NPC1RAB9AKMT2AMEN1
SCHEMBL17285516 0.79 PKM (0.39) PKMRXFP1CES2CES1NPC1
SCHEMBL23112090 0.78 CES2 (0.39) PKMRXFP1CES2CES1THRB
SCHEMBL16334846 0.78 THRB (0.50) PKMRXFP1NPC1RAB9ATHRB
SCHEMBL30765099 0.78 CES2 (0.39) PKMRXFP1CES2CES1THRB
SCHEMBL31342066 0.77 CES2 (0.39) PKMRXFP1CES2CES1NPC1

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-9963467-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2018-05-08 US disclosed
US-20170088561-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2017-03-30 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-20170088561-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 PKM 3196/4885RXFP1 3186/4885CES2 860/4885

“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.