SCHEMBL9933258

SCHEMBL9933258

C=CCC(NC(=O)OCc1ccccc1)C(=O)N(CC=C)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
P2RX7 Q99572 8/20 0.43
BACE1 P56817 1/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
USP30 Q70CQ3 2/20 0.42
PRMT5 O14744 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL28442161 1.00 ITGB3 (0.43) ITGB3ITGA2BP2RX7BACE1CTSK
SCHEMBL9933255 1.00 ITGB3 (0.43) ITGB3ITGA2BP2RX7BACE1CTSK
SCHEMBL9934458 1.00 ITGB3 (0.43) ITGB3ITGA2BP2RX7BACE1CTSK
SCHEMBL20566873 0.90 TGM2 (0.43) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL1440097 0.90 TGM2 (0.43) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL1439945 0.90 TGM2 (0.43) ITGB3ITGA2BCTSKCTSLCTSS
SCHEMBL25889247 0.75 YAP1 (0.52) ITGB3ITGA2BP2RX7CTSKCTSL
SCHEMBL29782573 0.75 USP30 (0.55) USP30PRMT5JAK2JAK1
SCHEMBL883610 0.75 USP30 (0.55) USP30PRMT5JAK2JAK1
SCHEMBL9932890 0.75 STS (0.37) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-07-25 US disclosed
CN-112300172-B Bruton tyrosine kinase inhibitors 比奥根MA公司 2024-01-16 CN disclosed
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2023-02-16 US disclosed
CN-112300172-A Bruton's tyrosine kinase inhibitors 比奥根MA公司 2021-02-02 CN disclosed
US-20200399283-A1 BRUTON'S TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. 2020-12-24 US disclosed
CN-107011330-B Bruton's tyrosine kinase inhibitors 比奥根MA公司 2020-07-03 CN disclosed
US-10577374-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
EP-3461824-A1 BRUTON'S TYROSINE KINASE INHIBITORS Biogen MA Inc. (US) 2019-04-03 EP disclosed
EP-3461824-A1 BRUTON'S TYROSINE KINASE INHIBITORS Biogen MA Inc. (US) 2019-04-03 EP disclosed
EP-2473049-B1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC (US) 2018-11-28 EP disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 US disclosed
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-12-29 US disclosed
US-9249146-B2 Bruton'S tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-02-02 US disclosed
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-10-16 US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 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 (8 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-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ITGB3 1674/4885ITGA2B 2040/4885P2RX7 2055/4885
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ITGB3 1674/4885ITGA2B 2040/4885P2RX7 2055/4885
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ITGB3 1674/4885ITGA2B 2040/4885P2RX7 2055/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ITGB3 1674/4885ITGA2B 2040/4885P2RX7 2055/4885
US-20200399283-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ITGB3 1674/4885ITGA2B 2040/4885P2RX7 2055/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ITGB3 1674/4885ITGA2B 2040/4885P2RX7 2055/4885
US-10577374-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK ITGB3 1674/4885ITGA2B 2040/4885P2RX7 2055/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ITGB3 1674/4885ITGA2B 2040/4885P2RX7 2055/4885

“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.