SCHEMBL21652826

SCHEMBL21652826

Nc1ccc(OCC2CCOC2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
XDH P47989 5/20 0.41
IRAK4 Q9NWZ3 2/20 0.39
DHFR P00374 1/20 0.38
DCPS Q96C86 1/20 0.38
GRM4 Q14833 5/20 0.36
BRD4 O60885 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
SCN8A Q9UQD0 1/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL29915641 1.00 MCHR1 (0.49) MCHR1XDHIRAK4DHFRDCPS
SCHEMBL16650978 0.84 RIPK1 (0.41) MCHR1XDH
SCHEMBL21633961 0.83 MCHR1 (0.43) MCHR1XDHIRAK4GRM4BRD4
SCHEMBL30126151 0.83 MCHR1 (0.49) MCHR1XDHIRAK4DHFRDCPS
SCHEMBL21652799 0.83 CYP1A2 (0.43) MCHR1IRAK4BRD4
SCHEMBL30126942 0.83 MCHR1 (0.49) MCHR1XDHIRAK4DHFRDCPS
SCHEMBL30126836 0.83 MCHR1 (0.49) MCHR1XDHIRAK4DHFRDCPS
SCHEMBL23436644 0.80 MCHR1 (0.41) MCHR1XDHIRAK4GRM4BRD4
SCHEMBL21634036 0.78 CYP19A1 (0.42) MCHR1XDHIRAK4BRD4
SCHEMBL30127315 0.76 XDH (0.55) MCHR1XDHDHFRDCPSFFAR2

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 11 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-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-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
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
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
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
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
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 MCHR1 4755/4885XDH 945/4885IRAK4 1981/4885
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof BRD4, BRD1, BRD3 MCHR1 4707/4885XDH 3179/4885IRAK4 1264/4885

“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.