Sugi Predict

Sugi Predict / Compounds / SCHEMBL6405849

SCHEMBL6405849

SCHEMBL6405849

O=C(O)[C@@H]1Cc2cc(C#Cc3ccccc3)ccc2N[C@@H]1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.42
▸ GRM5 P41594 6/20 0.38
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HNF4A P41235 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ HAO1 Q9UJM8 2/20 0.33

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
SCHEMBL6410914 1.00 FFAR1 (0.42) FFAR1GRM5MAPTGAAHNF4A
SCHEMBL6405219 0.85 PTGS1 (0.37) MAPTGAA
SCHEMBL6409146 0.85 PNMT (0.43) MAPTGAA
SCHEMBL6406123 0.85 PNMT (0.43) MAPTGAA
SCHEMBL6405650 0.85 PTGS1 (0.37) MAPTGAA
SCHEMBL7027229 0.81 MAPT (0.55) MAPTGAAKDM4EMEN1LMNA
SCHEMBL6409015 0.79 PNMT (0.40) MAPTGAAMEN1KMT2A
SCHEMBL6409652 0.79 PNMT (0.40) MAPTGAAMEN1KMT2A
SCHEMBL6405319 0.79 PNMT (0.40) MAPTGAAFFAR4KDM4ELMNA
SCHEMBL6405243 0.79 PNMT (0.40) MAPTGAA

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 4 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
EP-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 — — EP 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 FFAR1 1472/4885GRM5 1665/4885MAPT 3839/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 FFAR1 1180/4885GRM5 1846/4885MAPT 3684/4885

“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.