SCHEMBL21652828

SCHEMBL21652828

Cn1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(C(=O)OC(C)(C)C)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.38
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
USP30 Q70CQ3 2/20 0.33
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
BRD4 O60885 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
SCHEMBL23403836 0.84 JAK2 (0.34) JAK2BTK
SCHEMBL18487465 0.81 BUB1 (0.38) BUB1PRMT5WDR77USP30AAK1
SCHEMBL16336927 0.79 BUB1 (0.37) BUB1PRMT5WDR77USP30AAK1
SCHEMBL17879718 0.78 JAK2 (0.37) JAK2BTK
SCHEMBL31056884 0.77 BUB1 (0.35) BUB1PRMT5WDR77USP30AAK1
SCHEMBL29326532 0.77 BUB1 (0.35) BUB1PRMT5WDR77USP30AAK1
SCHEMBL21652803 0.77 BUB1 (0.39) BUB1BRD4
SCHEMBL30951333 0.76 BUB1 (0.36) BUB1PRMT5WDR77USP30AAK1
SCHEMBL17179245 0.76 L3MBTL1 (0.37) BUB1PRMT5WDR77USP30JAK2
SCHEMBL29361265 0.76 L3MBTL1 (0.37) BUB1PRMT5WDR77USP30JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12522600-B2 Crystal form and salt form of bromine domain protein inhibitor and preparation method therefor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2026-01-13 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
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-20240101551-A1 CRYSTAL FORM AND SALT FORM OF BROMINE DOMAIN PROTEIN INHIBITOR AND PREPARATION METHOD THEREFOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-03-28 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
EP-4092027-A1 CRYSTAL FORM AND SALT FORM OF BROMINE DOMAIN PROTEIN INHIBITOR AND PREPARATION METHOD THEREFOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2022-11-23 EP 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
CN-114929703-A Crystal form and salt form of bromodomain domain protein inhibitor and preparation method thereof 正大天晴药业集团股份有限公司 2022-08-19 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
WO-2021143922-A1 CRYSTAL FORM AND SALT FORM OF BROMINE DOMAIN PROTEIN INHIBITOR AND PREPARATION METHOD THEREFOR 正大天晴药业集团股份有限公司 2021-07-22 WO 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 (3 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 BUB1 1103/4885PRMT5 307/4885WDR77 530/4885
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof BRD4, BRD1, BRD3 BUB1 374/4885PRMT5 1093/4885WDR77 356/4885
US-20240101551-A1 CRYSTAL FORM AND SALT FORM OF BROMINE DOMAIN PROTEIN INHIBITOR AND PREPARATION METHOD THEREFOR BET1, BRD7, BRWD1 BUB1 1450/4885PRMT5 1507/4885WDR77 173/4885

“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.