SCHEMBL3350381

SCHEMBL3350381

CS(=O)(=O)Cc1ccc(C(=O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
P4HTM Q9NXG6 4/20 0.48
P4HA1 P13674 2/20 0.48
HCAR3 P49019 10/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4276177 0.85 NNMT (0.53)
SCHEMBL27105789 0.84 P4HA1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3354056 0.82 MAPK1 (0.54) MAPTALDH1A1HPGDHSD17B10
SCHEMBL344135 0.78 MAPT (0.58) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL27647127 0.77 MAPT (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL564744 0.77 ESR1 (0.46)
SCHEMBL31884418 0.76 P4HA1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL150492 0.76 P4HA1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25267662 0.75 MAPT (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL565981 0.75 HCAR3 (0.58) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043741-A1 AUTOTAXIN INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 레고켐 바이오사이언스 2024-02-29 WO disclosed
CN-108341819-B Phosphodiesterase inhibitors and uses thereof 南京药捷安康生物科技有限公司 2021-06-15 CN disclosed
US-20180194763-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LIMITED (GB) 2018-07-12 US disclosed
US-9951068-B2 Imidazo[4,5-C]pyridine and pyrrolo[2,3-C]pyridine derivatives as SSAO inhibitors PROXIMAGEN LIMITED (GB) 2018-04-24 US disclosed
US-20170247378-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN, LLC 2017-08-31 US disclosed
US-9676769-B2 Imidazo[4,5-C]pyridine and pyrrolo[2,3-C]pyridine derivatives as SSAO inhibitors PROXIMAGEN LIMITED (GB) 2017-06-13 US disclosed
US-20160326172-A1 NEW COMPOUNDS PROXIMAGEN, LLC 2016-11-10 US disclosed
US-9428498-B2 Substituted imidazo[4,5-c]pyridine compounds and compositions thereof PROXIMAGEN LIMITED (GB) 2016-08-30 US disclosed
US-20150258101-A1 NEW COMPOUNDS PROXIMAGEN LIMITED (GB) 2015-09-17 US disclosed
US-20140275040-A1 NEW COMPOUNDS PROXIMAGEN LIMITED (GB) 2014-09-18 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 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 (7 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-20160326172-A1 NEW COMPOUNDS SSB, ALOX15B, ALOX12 GABRP 2140/4885GABRD 2993/4885GABRA1 2117/4885
US-20140275040-A1 NEW COMPOUNDS SSB, ALOX15B, ALOX12 GABRP 2140/4885GABRD 2993/4885GABRA1 2117/4885
US-20170247378-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PNPO, SSB, XDH GABRP 440/4885GABRD 2902/4885GABRA1 1950/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 GABRP 2266/4885GABRD 1491/4885GABRA1 3122/4885
US-20180194763-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PNPO, SSB, XDH GABRP 440/4885GABRD 2902/4885GABRA1 1950/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP GABRP 1518/4885GABRD 797/4885GABRA1 1830/4885
US-20150258101-A1 NEW COMPOUNDS AOX1, QSOX1, MAOB GABRP 1126/4885GABRD 1555/4885GABRA1 957/4885

“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.