SCHEMBL16707196

SCHEMBL16707196

CCC(=O)C1=Cc2ccccc2OC1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.52
PTGS1 P23219 11/20 0.52
P2RY6 Q15077 1/20 0.49

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
SCHEMBL5646653 0.82 PTGS2 (0.52) PTGS2PTGS1P2RY6
SCHEMBL6093316 0.82 PTGS2 (0.65) PTGS2PTGS1P2RY6
SCHEMBL4751105 0.82 PTGS2 (0.65) PTGS2PTGS1P2RY6
SCHEMBL27916566 0.82 PTGS2 (0.65) PTGS2PTGS1P2RY6
Fluoride SCHEMBL28028189 0.81 PTGS2 (0.63) PTGS2PTGS1P2RY6
SCHEMBL27648680 0.81 PTGS2 (0.63) PTGS2PTGS1P2RY6
SCHEMBL16914776 0.80 PTGS2 (0.52) PTGS2PTGS1P2RY6
SCHEMBL5667657 0.79 P2RY6 (0.55) PTGS2PTGS1P2RY6
Benzene SCHEMBL6629703 0.79 PTGS2 (0.62) PTGS2PTGS1
Trifluoroacetic Acid SCHEMBL27628779 0.78 PTGS2 (0.60) PTGS2PTGS1P2RY6

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 8 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-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-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 3/4885P2RY6 505/4885
US-20160287556-A1 DEUTERATED BENZOPYRAN COMPOUNDS AND APPLICATION THEREOF PTGS2, HPGDS, PTGS1 PTGS2 1/4885PTGS1 3/4885P2RY6 505/4885
US-20170020843-A1 DEUTERATED BENZOPYRAN COMPOUNDS AND APPLICATION THEREOF PTGS2, HPGDS, PTGS1 PTGS2 1/4885PTGS1 3/4885P2RY6 505/4885

“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.