SCHEMBL370869

SCHEMBL370869

CC(C)(C)c1nn(C(=O)O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
F2 P00734 2/20 0.31
F11 P03951 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
DGAT1 O75907 1/20 0.30
UCHL1 P09936 1/20 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
SCHEMBL2209141 0.81 UCHL1 (0.34) FFAR1F2F11PRSS1PRSS2
SCHEMBL482176 0.80 FFAR1 (0.36) FFAR1F2F11PRSS1PRSS2
SCHEMBL28809235 0.76 USP30 (0.33) FFAR1
SCHEMBL20574237 0.74 USP30 (0.37) FFAR1F2F11PRSS1PRSS2
SCHEMBL29267550 0.74 FFAR1 (0.40) FFAR1
SCHEMBL29267551 0.72 FFAR1 (0.34) FFAR1
SCHEMBL31220431 0.71 NPC1 (0.34) FFAR1
SCHEMBL28879574 0.71 NPC1 (0.36) FFAR1
SCHEMBL29266029 0.70 KDM4E (0.33)
SCHEMBL32684434 0.69 USP30 (0.36) FFAR1DGAT1UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
EP-4059928-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-09-21 EP disclosed
US-20220235042-A1 Substituted Imidazo[1,2-a]-pyridines as IRAK 1/4 and FLT3 Inhibitors CHILDREN'S HOSPITAL MEDICAL CENTER 2022-07-28 US disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
EP-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 EP disclosed
US-10611730-B2 Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 US disclosed
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-03-28 US disclosed
EP-3227286-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINES AND IMIDAZO[1,2-A]PYRAZINES AND THEIR USE Bayer Pharma AG (DE) 2018-12-26 EP disclosed
EP-3227286-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINES AND IMIDAZO[1,2-A]PYRAZINES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-10-11 EP disclosed
US-9745311-B2 Substituted pyrrolo[2,3-b]pyrazines as FGFR inhibitors INCYTE CORPORATION (US) 2017-08-29 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2014026125-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2014-02-13 WO disclosed
US-20140045814-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2014-02-13 US disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
EP-2593447-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 WO disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 FFAR1 838/4885F2 107/4885F11 958/4885
US-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 FFAR1 2647/4885F2 520/4885F11 1640/4885
US-20220235042-A1 Substituted Imidazo[1,2-a]-pyridines as IRAK 1/4 and FLT3 Inhibitors IRAK1, IRAK4, IRAK2 FFAR1 1443/4885F2 3230/4885F11 1785/4885
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 FFAR1 4565/4885F2 4820/4885F11 4629/4885
US-10611730-B2 Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators GRIN1, GABRE, GRIN3A FFAR1 113/4885F2 4415/4885F11 3252/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 FFAR1 269/4885F2 1040/4885F11 319/4885
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GABRE, GRIN3A FFAR1 113/4885F2 4415/4885F11 3252/4885
US-20140045814-A1 PYRAZINE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR2, FGFR3 FFAR1 1156/4885F2 1079/4885F11 2747/4885

“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.