Sugi Predict

Sugi Predict / Compounds / SCHEMBL6404994

SCHEMBL6404994

SCHEMBL6404994

CC(C)(C)c1ccc2c(c1)OC(C(F)(F)C(F)(F)F)C(C(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CYP19A1 P11511 1/20 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
SCHEMBL6405417 1.00 LTB4R (0.35) LTB4RLTB4R2NPC1RAB9AALDH1A1
SCHEMBL6405304 0.90 LTB4R (0.37) LTB4RLTB4R2NPC1RAB9AALDH1A1
SCHEMBL6406400 0.90 LTB4R (0.37) LTB4RLTB4R2NPC1RAB9AALDH1A1
SCHEMBL6408794 0.80 HRH3 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6407269 0.80 HRH3 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6408643 0.80 PTGS1 (0.41) LTB4RLTB4R2ALDH1A1LMNAPTGS1
SCHEMBL6405435 0.79 LTB4R (0.36) LTB4RLTB4R2PTGS1PTGS2
SCHEMBL6406518 0.79 LTB4R (0.36) LTB4RLTB4R2PTGS1PTGS2
SCHEMBL6405279 0.74 PTGS2 (0.41) LMNAPTGS1PTGS2
SCHEMBL6408200 0.74 PTGS2 (0.41) LMNAPTGS1PTGS2

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 LTB4R 25/4885LTB4R2 14/4885NPC1 3276/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 LTB4R 49/4885LTB4R2 24/4885NPC1 3785/4885

“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.