SCHEMBL16707205

SCHEMBL16707205

[2H]C([2H])([2H])c1cc(C)cc2c1OC(C(F)(F)F)C(C(=O)OCC)=C2

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.66
PTGS1 P23219 10/20 0.61

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
SCHEMBL16550697 0.97 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5169272 0.93 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5169263 0.93 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5170006 0.93 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL16550495 0.91 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL16550482 0.89 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5645571 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5645644 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL19107464 0.84 PTGS2 (0.90) PTGS2PTGS1
SCHEMBL16707204 0.84 PTGS2 (0.90) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770432-B2 Deuterated benzopyran compounds and the use in the treatment of pain and inflammation GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2017-09-26 US disclosed
US-9763914-B2 Deuterated benzopyran compounds and application thereof GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2017-09-19 US disclosed
US-20170020843-A1 DEUTERATED BENZOPYRAN COMPOUNDS AND APPLICATION THEREOF INFLAMAX PHARMACEUTICALS LIMITED (CN) 2017-01-26 US disclosed
US-20160287556-A1 DEUTERATED BENZOPYRAN COMPOUNDS AND APPLICATION THEREOF INFLAMAX PHARMACEUTICALS LIMITED (CN) 2016-10-06 US disclosed
US-9371305-B2 Deuterated benzopyran compounds and application thereof GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-21 US disclosed
US-20150133538-A1 Deuterated Benzopyran Compounds and Application Thereof GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-14 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 (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-20150133538-A1 Deuterated Benzopyran Compounds and Application Thereof PTGS2, HPGDS, PTGS1 PTGS2 1/4885PTGS1 3/4885
US-20160287556-A1 DEUTERATED BENZOPYRAN COMPOUNDS AND APPLICATION THEREOF PTGS2, HPGDS, PTGS1 PTGS2 1/4885PTGS1 3/4885
US-20170020843-A1 DEUTERATED BENZOPYRAN COMPOUNDS AND APPLICATION THEREOF PTGS2, HPGDS, PTGS1 PTGS2 1/4885PTGS1 3/4885

“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.