SCHEMBL6405575

SCHEMBL6405575

Cc1cc(Cl)cc2c1NC(C(F)(F)F)C(C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.38
▸ PTGS1 P23219 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PNMT P11086 3/20 0.30
▸ GRM4 Q14833 2/20 0.30

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
SCHEMBL6404961 1.00 PTGS2 (0.38) PTGS2PTGS1ALDH1A1KDM4EHPGD
SCHEMBL6406369 0.87 MEN1 (0.36) PTGS2PTGS1PNMTGRM4
SCHEMBL6404943 0.87 MEN1 (0.36) PTGS2PTGS1PNMTGRM4
SCHEMBL6409865 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6407222 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6405280 0.76 PNMT (0.40) PTGS2PTGS1ALDH1A1KDM4EHPGD
SCHEMBL6406397 0.76 PNMT (0.40) PTGS2PTGS1ALDH1A1KDM4EHPGD
SCHEMBL6404956 0.74 NNMT (0.36) PNMT
SCHEMBL6411275 0.74 NNMT (0.36) PNMT
SCHEMBL6406306 0.72 PTGS2 (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 — — US disclosed
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
US-6514965-B1 For treating bacterial infections ANTEX PHARMA INC. 2003-02-04 — — 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 5/4885ALDH1A1 112/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885ALDH1A1 113/4885
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BAK1, BAD, BAX PTGS2 2655/4885PTGS1 1070/4885ALDH1A1 617/4885

“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.

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