Sugi Predict

Sugi Predict / Compounds / SCHEMBL6406400

SCHEMBL6406400

SCHEMBL6406400

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PTGS2 P35354 4/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6405304 1.00 LTB4R (0.37) LTB4RLTB4R2NPC1RAB9ALMNA
SCHEMBL6405417 0.90 LTB4R (0.35) LTB4RLTB4R2NPC1RAB9ALMNA
SCHEMBL6404994 0.90 LTB4R (0.35) LTB4RLTB4R2NPC1RAB9ALMNA
SCHEMBL6407269 0.90 HRH3 (0.43) NPC1RAB9ALMNAL3MBTL1HRH3
SCHEMBL6408794 0.90 HRH3 (0.43) NPC1RAB9ALMNAL3MBTL1HRH3
SCHEMBL6408643 0.90 PTGS1 (0.41) LTB4RLTB4R2LMNAPTGS2PTGS1
SCHEMBL6405435 0.88 LTB4R (0.36) LTB4RLTB4R2PTGS2PTGS1
SCHEMBL6406518 0.88 LTB4R (0.36) LTB4RLTB4R2PTGS2PTGS1
SCHEMBL6405279 0.84 PTGS2 (0.41) LMNAPTGS2PTGS1
SCHEMBL6408200 0.84 PTGS2 (0.41) LMNAPTGS2PTGS1

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 3 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
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.