SCHEMBL4595932

SCHEMBL4595932

O=S1(=O)CCc2cc(Br)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
BRD4 O60885 1/20 0.39
PARP10 Q53GL7 2/20 0.38
PARP11 Q9NR21 1/20 0.38
PNMT P11086 2/20 0.37
ASIC3 Q9UHC3 1/20 0.37
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
TDP2 O95551 1/20 0.34
PARP1 P09874 1/20 0.34
TGM2 P21980 1/20 0.33
CES1 P23141 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL36942249 0.81 CA2 (0.42) CA2CA1CA12CA9CA4
SCHEMBL15661473 0.81 CA2 (0.42) CA2CA1CA12CA9CA4
SCHEMBL23010593 0.79 CA1 (0.40) CA2CA1CA12CA9CA4
SCHEMBL3600991 0.79
SCHEMBL16118886 0.75 KIF11 (0.37) PARP1SRD5A1L3MBTL1
SCHEMBL31258927 0.73 GRIA1 (0.39) CA12CA9
SCHEMBL4558206 0.73 NPC1 (0.44) CA2CA1CA12CA9CA4
SCHEMBL19316090 0.72 HTR2C (0.35) CA2MAOA
SCHEMBL30869554 0.71 CA1 (0.40) CA2CA1CA12CA9CA4
SCHEMBL4898485 0.70 KIF11 (0.59) CA12CA9PARP10PARP11ASIC3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4587438-A1 BICYCLIC COMPOUNDS AS CDK INHIBITORS BeiGene Switzerland GmbH (CH) 2025-07-23 EP disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
CN-119894890-A Bicyclic compounds as CDK inhibitors 百济神州(苏州)生物科技有限公司 2025-04-25 CN disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-20140336106-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-11-13 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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 (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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CA2 426/4885CA1 2925/4885CA12 609/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE CA2 426/4885CA1 2925/4885CA12 609/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CA2 426/4885CA1 2925/4885CA12 609/4885
US-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 CA2 3053/4885CA1 3018/4885CA12 1836/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE CA2 426/4885CA1 2925/4885CA12 609/4885
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP CA2 2595/4885CA1 466/4885CA12 2341/4885
US-20140336106-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP CA2 2595/4885CA1 466/4885CA12 2341/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CA2 426/4885CA1 2925/4885CA12 609/4885

“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.