SCHEMBL21633463

SCHEMBL21633463

CC(C)S(=O)(=O)c1cnc(F)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 5/20 0.35
ALDH1A1 P00352 5/20 0.33
FEN1 P39748 2/20 0.33
LMNA P02545 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
S100A9 P06702 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
ABL1 P00519 1/20 0.32
POLB P06746 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
GSK3B P49841 1/20 0.30
ATM Q13315 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL23358220 0.80 PTGDR2 (0.37) ALDH1A1LMNACA1CA2CA9
SCHEMBL1700090 0.78 CA2 (0.48) CA1CA2CA9GAA
SCHEMBL21633471 0.77 ALDH1A1 (0.38) GABRA2ALDH1A1LMNACA1CA2
SCHEMBL21633518 0.77 ALDH1A1 (0.37) ALDH1A1LMNACA1CA2CA9
SCHEMBL1370049 0.71 PSEN1 (0.41) GABRA2CA1CA2CA9
SCHEMBL2636788 0.69 SMN1; SMN2 (0.39) ALDH1A1FEN1LMNAGAAMAPT
SCHEMBL15052712 0.69 S100A9 (0.39) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL7681305 0.68 ALDH1A1 (0.58) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL29529396 0.68 TRPV4 (0.47) FEN1HRH4ABL1NR1H2NR1H3
SCHEMBL15794097 0.68 IDO1 (0.40) GABRA2CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162878-B2 BRD4 inhibitor as well as a preparative method and use thereof HINOVA PHARMACEUTICALS INC. (CN) 2024-12-10 US disclosed
CN-110776508-B BRD4 inhibitor and preparation method and application thereof 海创药业股份有限公司 2021-07-16 CN disclosed
EP-3831828-A1 BRD4 INHIBITOR, PREPARATION METHOD AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-06-09 EP disclosed
US-20210147419-A1 BRD4 inhibitor as well as a preparative method and use thereof HINOVA PHARMACEUTICALS INC. (CN) 2021-05-20 US disclosed
CN-110776508-A BRD4 inhibitor and preparation method and application thereof 成都海创药业有限公司 2020-02-11 CN disclosed
WO-2020020308-A1 BRD4 INHIBITOR, PREPARATION METHOD AND USE THEREOF 成都海创药业有限公司 2020-01-30 WO 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-20210147419-A1 BRD4 inhibitor as well as a preparative method and use thereof BICRA, BRD4, BRDT GABRA2 1023/4885ALDH1A1 4539/4885FEN1 3639/4885
US-12162878-B2 BRD4 inhibitor as well as a preparative method and use thereof BICRA, BRD4, BRDT GABRA2 1023/4885ALDH1A1 4539/4885FEN1 3639/4885

“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.