SCHEMBL2589616

SCHEMBL2589616

Cc1cc(F)cnc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 2/20 0.56
HCAR2 Q8TDS4 4/20 0.42
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
KDM4E B2RXH2 3/20 0.36
ASPH Q12797 2/20 0.36

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
SCHEMBL1863152 0.84 AGBL2 (0.51) AGBL2HCAR2GABRPGABRDGABRA1
SCHEMBL17668865 0.82 AGBL2 (0.50) AGBL2HCAR2GABRPGABRDGABRA1
SCHEMBL26928475 0.82 AGBL2 (0.50) AGBL2GABRPGABRDGABRA1GABRB1
SCHEMBL2592299 0.79 AGBL2 (0.47) AGBL2KDM4EBACE1ALDH1A1
SCHEMBL107357 0.79 HCAR2 (0.45) AGBL2HCAR2KDM4EASPHKDM8
SCHEMBL7190906 0.79 HCAR2 (0.45) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL8566219 0.78 KDM4E (0.46) AGBL2HCAR2GABRPGABRDGABRA1
SCHEMBL16011625 0.78 CYP3A4 (0.44) AGBL2HCAR2GABRPGABRDGABRA1
SCHEMBL15991202 0.78 SPR (0.48) AGBL2HCAR2KDM4EASPHKDM8
SCHEMBL9508588 0.78 HCAR2 (0.44) HCAR2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083644-B1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN LA ROCHE (CH) 2019-03-13 EP claimed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US claimed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US claimed
EP-3083644-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. Hoffmann-La Roche AG (CH) 2016-10-26 EP claimed
CN-105683199-A 5-aryl-1-imino-1-oxo- [1,2,4] thiadiazines 豪夫迈·罗氏有限公司 2016-06-15 CN claimed
EP-2663559-B1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-07-01 EP claimed
WO-2015091595-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US claimed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
EP-2663559-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
US-20130281449-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2013-10-24 US claimed
WO-2012095463-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
EP-4434980-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE Hangzhou HealZen Therapeutics Co., Ltd. (CN) 2024-09-25 EP disclosed
CN-108715590-B Thiazolecarboxamide and picolinamide compounds useful as PIM kinase inhibitors 因赛特公司 2022-03-08 CN disclosed
EP-3481805-A1 PROCESS FOR PREPARING HALOGENATED PYRIDINE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2019-05-15 EP disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 US disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 US disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 US disclosed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 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 (4 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-20130281449-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders GRIK5, OTC, GRIN2C AGBL2 3457/4885HCAR2 757/4885GABRP 445/4885
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES BACE1, BACE2, PSEN1 AGBL2 745/4885HCAR2 2932/4885GABRP 1776/4885
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP AGBL2 72/4885HCAR2 1261/4885GABRP 597/4885
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 AGBL2 94/4885HCAR2 504/4885GABRP 2107/4885

“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.