SCHEMBL1680787

SCHEMBL1680787

CCOC(=O)c1c[nH]c(=O)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ESR1 P03372 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 2/20 0.42
IMPDH2 P12268 1/20 0.41

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
SCHEMBL4554301 0.85 FGFR1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL20661372 0.83 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL22623624 0.82 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL19878641 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL544803 0.81 PKM (0.47) CA12CA1CA2CA7CA9
SCHEMBL25905328 0.79 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL3000237 0.79 NOTUM (0.55) CA12CA1CA2CA7CA9
SCHEMBL22542501 0.77 KDM4E (0.48) CA12CA1CA2CA7CA9
SCHEMBL19739792 0.77 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL27748064 0.77 CYP4F2 (0.43) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
EP-4074711-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2022-10-19 EP disclosed
CN-114901658-A Nitrogen-containing heterocyclic ring autotaxin inhibitor, and composition and application thereof 四川海思科制药有限公司 2022-08-12 CN disclosed
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 WO disclosed
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 WO disclosed
EP-3623371-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (CH) 2020-03-18 EP disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-01-22 US disclosed
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-01-22 US disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 WO disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP disclosed
US-6670380-B2 For therapy of insulin resistance, hyperglycemia, hyperinsulinemia, or elevated blood levels of free fatty acids or glycerol, obesity, hypertriglyceridemia, inflammation, atherosclerosis, diabetic retinopathy, diabetic neuropathy BRISTOL-MYERS SQUIBB CO. 2003-12-30 US disclosed
EP-1343763-A1 PYRODONE DERIVATIVES AS AP2 INHIBITORS Bristol-Myers Squibb Company (US) 2003-09-17 EP disclosed
US-20020077340-A1 Pyridone inhibitors of fatty acid binding protein and method BRISTOL-MYERS SQUIBB COMPANY 2002-06-20 US disclosed
WO-2002040448-A1 PYRIDONE DERIVATIVES AS AP2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-23 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-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 CA12 3736/4885CA1 4114/4885CA2 2252/4885
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 CA12 835/4885CA1 288/4885CA2 842/4885
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 CA12 2502/4885CA1 555/4885CA2 1806/4885
US-20020077340-A1 Pyridone inhibitors of fatty acid binding protein and method FABP1, FABP5, FABP2 CA12 4844/4885CA1 4772/4885CA2 3835/4885

“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.