Sugi Predict

Sugi Predict / Compounds / SCHEMBL6405916

SCHEMBL6405916

SCHEMBL6405916

O=C(c1ccc(O)cc1)c1ccc2c(c1)C[C@@H](C(=O)O)[C@@H](C(F)(F)F)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SRD5A2 P31213 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 5/20 0.33
▸ NPC1 O15118 3/20 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
SCHEMBL6404967 1.00 TDP1 (0.41) TDP1POLBL3MBTL1MAPTHTT
SCHEMBL6405989 0.92 NPC1 (0.42) TDP1POLBL3MBTL1MAPTHPGD
SCHEMBL6405818 0.92 NPC1 (0.42) TDP1POLBL3MBTL1MAPTHPGD
SCHEMBL6410845 0.89 TDP1 (0.40) TDP1POLBMAPTSRD5A2SMN1; SMN2
SCHEMBL6409718 0.89 TDP1 (0.40) TDP1POLBMAPTSRD5A2SMN1; SMN2
SCHEMBL6403847 0.80 TDP1 (0.36) TDP1MAPTLMNA
SCHEMBL6412354 0.80 TDP1 (0.36) TDP1MAPTLMNA
SCHEMBL6404620 0.79 TDP1 (0.42) TDP1POLBAPEX1RECQLRAB9A
SCHEMBL6407182 0.79 TDP1 (0.42) TDP1POLBAPEX1RECQLRAB9A
SCHEMBL6405425 0.79 PTGS2 (0.44) TDP1

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 TDP1 1920/4885POLB 2633/4885L3MBTL1 2028/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 TDP1 1068/4885POLB 2793/4885L3MBTL1 1810/4885

“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.