SCHEMBL2272444

SCHEMBL2272444

CC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.58
KIF11 P52732 10/20 0.47
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PTPN5 P54829 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
HDAC4 P56524 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL2272447 1.00 PDE2A (0.58) PDE2AKIF11AKR1C3AKR1C2PTPN5
SCHEMBL2272449 1.00 PDE2A (0.58) PDE2AKIF11AKR1C3AKR1C2PTPN5
SCHEMBL18075380 0.86 PDE2A (0.77) PDE2A
SCHEMBL30134102 0.86 PDE2A (0.77) PDE2A
SCHEMBL2268129 0.83 PDE2A (0.54) PDE2AKIF11AKR1C3AKR1C2PTPN5
SCHEMBL2268127 0.83 PDE2A (0.54) PDE2AKIF11AKR1C3AKR1C2PTPN5
SCHEMBL2268133 0.83 PDE2A (0.54) PDE2AKIF11AKR1C3AKR1C2PTPN5
SCHEMBL12603870 0.82 PDE2A (0.76) PDE2AKIF11AKR1C3AKR1C2PTPN5
SCHEMBL7949274 0.81 FFAR1 (0.51) PDE2AAKR1C3AKR1C2PTPN5PSEN1
SCHEMBL2272017 0.78 PDE2A (0.59) PDE2AKIF11AKR1C3AKR1C2PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3214939-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-19 EP disclosed
EP-1758859-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2013-07-17 EP disclosed
EP-1758859-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2013-07-17 EP disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 US disclosed
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 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 (3 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-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR PDE2A 386/4885KIF11 3904/4885AKR1C3 550/4885
US-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 PDE2A 6/4885KIF11 3086/4885AKR1C3 1400/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 PDE2A 6/4885KIF11 3086/4885AKR1C3 1400/4885

“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.