SCHEMBL12077204

SCHEMBL12077204

O=C1NCCCc2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 7/20 0.43
PARP10 Q53GL7 7/20 0.43
GRM5 P41594 3/20 0.40
PARP1 P09874 1/20 0.40
GSK3B P49841 1/20 0.39
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HSD11B1 P28845 1/20 0.38
DRD2 P14416 1/20 0.37
HTR1D P28221 1/20 0.37
DRD3 P35462 1/20 0.37
STS P08842 1/20 0.37

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
SCHEMBL1417460 0.92 PARP10 (0.51) PARP11PARP10GRM5PARP1
SCHEMBL12077946 0.84 HSD11B1 (0.38) PARP11PARP10GRM5PARP1HTR2C
SCHEMBL23160144 0.83 CES1 (0.48) PARP11PARP10GRM5PARP1GSK3B
SCHEMBL18305057 0.82 PARP10 (0.57) PARP11PARP10PARP1HTR2CHTR7
SCHEMBL315565 0.80 MAOB (0.55) GRM5MAOAMAOB
SCHEMBL1471642 0.80 MAOB (0.55) GRM5MAOAMAOBSTS
SCHEMBL3692167 0.79 GRM5 (0.56) PARP11PARP10GRM5PARP1
SCHEMBL30274539 0.78 PARP10 (0.43) PARP11PARP10GRM5PARP1GSK3B
SCHEMBL4157926 0.77 MAOB (0.57) GRM5MAOAMAOBDRD2HTR1D
SCHEMBL2089994 0.75 DRD2 (0.42) HTR2CHTR7HTR6MAOAMAOB

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
US-20240051951-A1 BICYCLIC COMPOUND AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2024-02-15 US disclosed
US-20230286965-A1 BICYCLIC COMPOUND AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-09-14 US disclosed
US-11725001-B2 Bicyclic compound and use thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-08-15 US disclosed
US-20220402902-A1 BICYCLIC COMPOUND AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. 2022-12-22 US disclosed
CN-114929691-A Bicyclic compounds and uses thereof 爱思开生物制药株式会社 2022-08-19 CN disclosed
EP-4039686-A1 BICYCLIC COMPOUND AND USE THEREOF SK Biopharmaceuticals Co., Ltd. (KR) 2022-08-10 EP disclosed
WO-2021066578-A1 BICYCLIC COMPOUND AND USE THEREOF 에스케이바이오팜 주식회사 2021-04-08 WO disclosed
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 US disclosed
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 WO disclosed
US-20120225449-A1 Method and appraratus utilizing enzyme substrates producing slow diffusing fluorescent product appearances and chromogens, and use in combination with fast diffusing product appearances ROTH GEOFFREY N (US) 2012-09-06 US disclosed
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 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-20220402902-A1 BICYCLIC COMPOUND AND USE THEREOF PRMT5, PRMT6, PRMT1 PARP11 78/4885PARP10 58/4885GRM5 97/4885
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 PARP11 1232/4885PARP10 1435/4885GRM5 2527/4885
US-20240051951-A1 BICYCLIC COMPOUND AND USE THEREOF PRMT5, PRMT6, PRMT1 PARP11 78/4885PARP10 58/4885GRM5 97/4885
US-20230286965-A1 BICYCLIC COMPOUND AND USE THEREOF PRMT5, PRMT6, PRMT8 PARP11 99/4885PARP10 78/4885GRM5 144/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 PARP11 1232/4885PARP10 1435/4885GRM5 2527/4885
US-11725001-B2 Bicyclic compound and use thereof PRMT5, PRMT6, PRMT1 PARP11 78/4885PARP10 58/4885GRM5 97/4885

“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.