Sugi Predict

Sugi Predict / Compounds / SCHEMBL6406077

SCHEMBL6406077

SCHEMBL6406077

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 5/20 0.38
▸ FFAR1 O14842 2/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ APAF1 O14727 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GRK2 P25098 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ BAD Q92934 1/20 0.33
▸ GPR142 Q7Z601 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
SCHEMBL6410937 1.00 FFAR4 (0.38) FFAR4FFAR1HDAC1HDAC2HDAC3
SCHEMBL6403861 0.91 HRH3 (0.42) FFAR4FFAR1TDP1HRH3
SCHEMBL6405687 0.91 HRH3 (0.42) FFAR4FFAR1TDP1HRH3
SCHEMBL6404784 0.89 FFAR4 (0.36) FFAR4FFAR1TDP1HRH3
SCHEMBL6411077 0.89 PTGS2 (0.38) FFAR4FFAR1TDP1HRH3PTGS1
SCHEMBL6405578 0.89 FFAR4 (0.36) FFAR4FFAR1TDP1HRH3
SCHEMBL6409748 0.89 PTGS2 (0.38) FFAR4FFAR1TDP1HRH3PTGS1
SCHEMBL6408656 0.81 SLC6A9 (0.37) HDAC1HDAC2HDAC3
SCHEMBL6407275 0.81 SLC6A9 (0.37) HDAC1HDAC2HDAC3
SCHEMBL6406846 0.81 MMP3 (0.40) FFAR4FFAR1HRH3

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 FFAR4 1283/4885FFAR1 1472/4885HDAC1 2297/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 FFAR4 1641/4885FFAR1 1180/4885HDAC1 1755/4885

“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.