SCHEMBL21652833

SCHEMBL21652833

Cc1cc(Br)c(Oc2ccc(F)cc2F)cn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.47
SLC6A4 P31645 2/20 0.45
TRPA1 O75762 10/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HSPB1 P04792 1/20 0.41
BRD4 O60885 3/20 0.41
SLC6A2 P23975 1/20 0.40
MAPK14 Q16539 1/20 0.39

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
SCHEMBL29915550 0.82 EPAS1 (0.47) EPAS1TRPA1L3MBTL1HSPB1MAPK14
SCHEMBL21634034 0.82 EPAS1 (0.47) EPAS1TRPA1L3MBTL1HSPB1MAPK14
SCHEMBL21633965 0.82 EPAS1 (0.47) EPAS1TRPA1L3MBTL1HSPB1MAPK14
SCHEMBL28388159 0.78 EPAS1 (0.55) EPAS1TRPA1L3MBTL1HSPB1
SCHEMBL20384414 0.78 EPAS1 (0.55) EPAS1SLC6A4TRPA1L3MBTL1HSPB1
SCHEMBL21652832 0.77 PKM (0.47) EPAS1HSPB1
SCHEMBL29915547 0.77 PKM (0.47) EPAS1HSPB1
SCHEMBL23403939 0.77 PKM (0.44) EPAS1TRPA1HSPB1MAPK14
SCHEMBL21633979 0.77 EPAS1 (0.43) EPAS1L3MBTL1BRD4MAPK14
SCHEMBL21652794 0.76 EPAS1 (0.48) EPAS1TRPA1HSPB1BRD4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-09 US disclosed
US-20210300923-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-09-30 US disclosed
EP-3828183-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-06-02 EP disclosed
WO-2020020288-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 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-20210300923-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF BRD1, BRD4, BRD2 EPAS1 3006/4885SLC6A4 4767/4885TRPA1 4591/4885
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof BRD4, BRD1, BRD3 EPAS1 2836/4885SLC6A4 4838/4885TRPA1 3975/4885

“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.