SCHEMBL3568612

SCHEMBL3568612

OB(O)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.46
ORAI1 Q96D31 1/20 0.46
ORAI2 Q96SN7 1/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
TRPV6 Q9H1D0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
TAAR1 Q96RJ0 3/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
AGXT P21549 2/20 0.41
TRPA1 O75762 2/20 0.39
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL26791861 0.76 IDO1 (0.48) IDO1LOXL2TAAR1PLA2G1BATG4B
SCHEMBL15740559 0.76 ESR1 (0.52) IDO1TAAR1ESR1ESR2
SCHEMBL28591555 0.74 TRPA1 (0.43) TRPA1
SCHEMBL22010359 0.74 CYP3A4 (0.41) IDO1
SCHEMBL28386811 0.74 IDO1 (0.46) IDO1
SCHEMBL19692606 0.74 ALDH1A1 (0.50) LOXL2
SCHEMBL1822656 0.74 F11 (0.56) LOXL2TAAR1
SCHEMBL15106880 0.74 CA1 (0.46) IDO1TAAR1
SCHEMBL1356833 0.74 IDO1 (0.46) IDO1ORAI1ORAI2ORAI3TRPV6
SCHEMBL1358563 0.74 IDO1 (0.46) IDO1ORAI1ORAI2ORAI3TRPV6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115959993-A Synthetic method of 2-aryl propionic acid compound 山东中医药大学 2023-04-14 CN claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-108219431-B Polycarbonate resin molding material 出光兴产株式会社 2021-12-24 CN disclosed
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-2928868-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP disclosed
EP-2718266-B9 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
EP-3072886-A1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2016-09-28 EP disclosed
EP-2718266-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-05-25 EP disclosed
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (US) 2016-05-19 US disclosed
US-9321727-B2 Pyridine derivatives as agonists of the CB2 receptor HOFFMANN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-20150299165-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-10-22 US disclosed
EP-2928868-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-10-14 EP disclosed
WO-2014086806-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-20150299165-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS CNR2, CNR1, GPR52 IDO1 1349/4885ORAI1 1061/4885ORAI2 1409/4885
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 IDO1 575/4885ORAI1 3704/4885ORAI2 4310/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 IDO1 70/4885ORAI1 3827/4885ORAI2 2028/4885
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 IDO1 575/4885ORAI1 3704/4885ORAI2 4310/4885

“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.