Sugi Predict

Sugi Predict / Compounds / SCHEMBL6406817

SCHEMBL6406817

SCHEMBL6406817

COc1cccc(-c2cc(Cl)cc3c2OC(C(F)(F)F)C(C(=O)O)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.39
▸ PTGS1 P23219 5/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ CNR1 P21554 2/20 0.37
▸ FFAR2 O15552 1/20 0.37
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ EDNRB P24530 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL6412184 1.00 PTGS2 (0.39) PTGS2PTGS1GPR84AKR1C3AKR1C2
SCHEMBL6405007 0.89 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6405184 0.89 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6404786 0.87 PTGS1 (0.50) PTGS2PTGS1
SCHEMBL6408758 0.87 PTGS1 (0.50) PTGS2PTGS1
SCHEMBL6406249 0.82 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6407693 0.82 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6409067 0.79 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6405829 0.79 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6406264 0.79 PTGS1 (0.38) PTGS2PTGS1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 — — US disclosed
US-6822102-B2 COMPOUNDS SUCH AS (2S,3R)-6,8-DICHLORO-3,4-DIHYDRO-2-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-3 -CARBOXYLIC ACID, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC, ANTICARCINOGENIC AGENTS OR ANALGESICS PHARMACIA CORPORATION 2004-11-23 — — US disclosed
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PHARMACIA CORPORATION 2003-12-18 — — 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 (2 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 5/4885GPR84 1182/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885GPR84 1527/4885

“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.