SCHEMBL4075573

SCHEMBL4075573

Cc1cc(Br)ccc1C(C)N[S@+]([O-])C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
AAK1 Q2M2I8 2/20 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
SCHEMBL22659622 1.00 CA1 (0.34) CA1CA2SIGMAR1AAK1
SCHEMBL29418450 1.00 CA1 (0.34) CA1CA2SIGMAR1AAK1
SCHEMBL25534448 1.00 CA1 (0.34) CA1CA2SIGMAR1AAK1
SCHEMBL13332051 1.00 CA1 (0.34) CA1CA2SIGMAR1AAK1
SCHEMBL168283 1.00 CA1 (0.34) CA1CA2SIGMAR1AAK1
SCHEMBL4927566 0.84 TRPA1 (0.33)
SCHEMBL24838392 0.84 TRPA1 (0.31)
SCHEMBL22659641 0.84 MAPK1 (0.35) AAK1
SCHEMBL22659638 0.84 MAPK1 (0.35) AAK1
SCHEMBL25226577 0.84 APLNR (0.39) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4051680-B1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2025-09-03 EP disclosed
US-12391697-B2 Condensed bi-heterocycles as inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2025-08-19 US disclosed
US-12240838-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2025-03-04 US disclosed
US-20240327380-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2024-10-03 US disclosed
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 EP disclosed
US-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-01-26 US disclosed
EP-4051680-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2022-09-07 EP disclosed
US-20220259194-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-08-18 US disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 WO disclosed
WO-2021087112-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2021-05-06 WO disclosed
WO-2020232330-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2020-11-19 WO disclosed
US-20120108579-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108579-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2012-05-03 US 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 (6 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-12240838-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN CA1 4445/4885CA2 2315/4885SIGMAR1 4001/4885
US-20120108579-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CA1 1835/4885CA2 1161/4885SIGMAR1 2278/4885
US-20240327380-A1 BTK INHIBITORS BTK, SYK, LYN CA1 4769/4885CA2 3043/4885SIGMAR1 3407/4885
US-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, CDK1, CDK2 CA1 4290/4885CA2 2559/4885SIGMAR1 3504/4885
US-12391697-B2 Condensed bi-heterocycles as inhibiting agents for Bruton's tyrosine kinase ABL1, CDK1, CDK2 CA1 4290/4885CA2 2559/4885SIGMAR1 3504/4885
US-20220259194-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN CA1 4445/4885CA2 2315/4885SIGMAR1 4001/4885

“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.