SCHEMBL21652824

SCHEMBL21652824

Cn1cc(-c2nc(N=S(C)(C)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.64
BRD2 P25440 1/20 0.57
ADORA2B P29275 1/20 0.57
TSPO P30536 1/20 0.57
EP300 Q09472 1/20 0.57
BRD3 Q15059 1/20 0.57
BRDT Q58F21 1/20 0.57

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
SCHEMBL21652816 0.85 BRD4 (0.68) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL21652825 0.84 BRD4 (0.67) BRD4
SCHEMBL20384191 0.83 BRD4 (0.75) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL23436757 0.82 BRD4 (0.63) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL23403827 0.81 BRD4 (0.44) BRD4BRD2BRD3BRDT
SCHEMBL21652741 0.80 BRD4 (0.77) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15067602 0.78 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL20384342 0.78 BRD4 (0.72) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL21652790 0.78 BRD4 (0.40) BRD4BRD2BRD3BRDT
SCHEMBL23436641 0.77 BRD4 (0.76) BRD4BRD2ADORA2BTSPOEP300

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 9 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-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
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
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 (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 BRD4 2/4885BRD2 3/4885ADORA2B 4499/4885
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof BRD4, BRD1, BRD3 BRD4 1/4885BRD2 5/4885ADORA2B 4616/4885
US-20240101551-A1 CRYSTAL FORM AND SALT FORM OF BROMINE DOMAIN PROTEIN INHIBITOR AND PREPARATION METHOD THEREFOR BET1, BRD7, BRWD1 BRD4 9/4885BRD2 19/4885ADORA2B 4874/4885

“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.