SCHEMBL23854643

SCHEMBL23854643

CC(C)(C)N(C(=O)O)c1cc(Br)c(Oc2ccc(F)cc2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.42
PKM P14618 1/20 0.40
NR3C1 P04150 1/20 0.38
HSPB1 P04792 1/20 0.37
MAPK14 Q16539 3/20 0.37
CARM1 Q86X55 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GCK P35557 1/20 0.36
MAPT P10636 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
TRPA1 O75762 3/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL28595983 0.83 EPAS1 (0.39) EPAS1PKMNR3C1MAPK14CARM1
SCHEMBL21652832 0.76 PKM (0.47) EPAS1PKMHSPB1KDM4E
SCHEMBL29915547 0.76 PKM (0.47) EPAS1PKMHSPB1KDM4E
SCHEMBL21633979 0.73 EPAS1 (0.43) EPAS1PKMMAPK14CARM1MAPT
SCHEMBL23403939 0.73 PKM (0.44) EPAS1PKMHSPB1MAPK14GCK
SCHEMBL21652833 0.73 EPAS1 (0.47) EPAS1HSPB1MAPK14TRPA1
SCHEMBL21652766 0.72 EPAS1 (0.41) EPAS1PKMMAPK14GCKMAPT
SCHEMBL30957817 0.72 EPAS1 (0.41) EPAS1PKMMAPK14GCKMAPT
SCHEMBL30957814 0.72 EPAS1 (0.41) EPAS1PKMMAPK14GCKMAPT
SCHEMBL21634034 0.70 EPAS1 (0.47) EPAS1HSPB1MAPK14TRPA1

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
CN-115716827-A Iminosulfones compound as bromodomain protein inhibitor, pharmaceutical composition and medical application thereof 正大天晴药业集团股份有限公司 2023-02-28 CN disclosed
CN-112424200-B Iminosulfones compound as bromodomain protein inhibitor, pharmaceutical composition and medical application thereof 正大天晴药业集团股份有限公司 2022-09-20 CN 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
CN-112424200-A Iminosulfones compound as bromodomain protein inhibitor, pharmaceutical composition and medical application thereof 正大天晴药业集团股份有限公司 2021-02-26 CN 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-20210300923-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF BRD1, BRD4, BRD2 EPAS1 3006/4885PKM 2881/4885NR3C1 1206/4885

“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.