SCHEMBL2969895

SCHEMBL2969895

CCOC(=O)C=CC(F)(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.50
MAPT P10636 5/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MLYCD O95822 1/20 0.37
TTR P02766 1/20 0.37
DPP4 P27487 1/20 0.37
MAOB P27338 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.36
MDM2 Q00987 2/20 0.36
MDM4 O15151 1/20 0.36
CYP3A4 P08684 1/20 0.35
FDPS P14324 1/20 0.35

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
SCHEMBL2969893 1.00 HCAR2 (0.50) HCAR2MAPTCA12CA1CA2
SCHEMBL5511234 0.85 HCAR2 (0.44) HCAR2MAPTCA12CA1CA2
SCHEMBL5004970 0.85 HCAR2 (0.44) HCAR2MAPTCA12CA1CA2
SCHEMBL5008509 0.85 HCAR2 (0.44) HCAR2MAPTCA12CA1CA2
SCHEMBL11233781 0.85 HCAR2 (0.47) HCAR2MAPTCA12CA1CA2
SCHEMBL23666175 0.83 HCAR2 (0.54) HCAR2MAPTCA12CA1CA2
SCHEMBL863510 0.83 HCAR2 (0.54) HCAR2MAPTCA12CA1CA2
SCHEMBL195983 0.83 HCAR2 (0.54) HCAR2MAPTCA12CA1CA2
SCHEMBL195984 0.83 HCAR2 (0.54) HCAR2MAPTCA12CA1CA2
SCHEMBL26444597 0.82 HCAR2 (0.48) HCAR2MAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-7138411-B2 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2006-11-21 US disclosed
US-7109211-B2 Substituted benzopyran derivatives for the treatment of inflammation PHARMACIA CORPORATION (OF PFIZER, INC.) (US) 2006-09-19 US disclosed
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2005-03-03 US disclosed
US-6806288-B1 CYCLOOXYGENASE-2 MEDIATED DISORDERS; REDUCES INFLAMMATION; FEWER SIDE EFFECTS G.D. SEARLE & CO. 2004-10-19 US disclosed
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. 2004-02-26 US disclosed
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP disclosed
US-6492390-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS. G.D. SEARLE & CO. 2002-12-10 US disclosed
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-01-24 US disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 US 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-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 HCAR2 64/4885MAPT 3822/4885CA12 4818/4885
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation PTGS1, PTGES2, IL1R1 HCAR2 89/4885MAPT 3750/4885CA12 4792/4885
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation PTGES2, PTGS2, PTGER2 HCAR2 33/4885MAPT 4203/4885CA12 4438/4885
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient PDE5A, PDE3A, PDE3B HCAR2 3841/4885MAPT 3621/4885CA12 4828/4885

“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.