Sugi Predict

Sugi Predict / Compounds / SCHEMBL6411077

SCHEMBL6411077

SCHEMBL6411077

O=C(O)[C@@H]1Cc2cc(-c3ccc(Cl)cc3)ccc2O[C@@H]1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ FFAR4 Q5NUL3 6/20 0.38
▸ FFAR1 O14842 4/20 0.37
▸ RORC P51449 1/20 0.36
▸ TBXA2R P21731 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ EDNRB P24530 1/20 0.34
▸ EDNRA P25101 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 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
SCHEMBL6409748 1.00 PTGS2 (0.38) PTGS2PTGS1FFAR4FFAR1RORC
SCHEMBL6403861 0.90 HRH3 (0.42) FFAR4FFAR1TDP1HRH3MEN1
SCHEMBL6405687 0.90 HRH3 (0.42) FFAR4FFAR1TDP1HRH3MEN1
SCHEMBL6404285 0.90 PTGS2 (0.44) PTGS2PTGS1FFAR4TDP1HRH3
SCHEMBL6406723 0.90 PTGS2 (0.44) PTGS2PTGS1FFAR4TDP1HRH3
SCHEMBL6406077 0.89 FFAR4 (0.38) PTGS1FFAR4FFAR1TDP1HRH3
SCHEMBL6410937 0.89 FFAR4 (0.38) PTGS1FFAR4FFAR1TDP1HRH3
SCHEMBL6404784 0.88 FFAR4 (0.36) FFAR4FFAR1TDP1HRH3
SCHEMBL6405578 0.88 FFAR4 (0.36) FFAR4FFAR1TDP1HRH3
SCHEMBL6410845 0.86 TDP1 (0.40) PTGS2PTGS1TBXA2RTDP1

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 PTGS2 1/4885PTGS1 5/4885FFAR4 1283/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885FFAR4 1641/4885

“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.