Sugi Predict

Sugi Predict / Compounds / SCHEMBL6409718

SCHEMBL6409718

SCHEMBL6409718

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.40
▸ SRD5A2 P31213 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ MAPK1 P28482 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FABP2 P12104 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL6410845 1.00 TDP1 (0.40) TDP1SRD5A2PTGS1PTGS2MAPK1
SCHEMBL6405818 0.91 NPC1 (0.42) TDP1SRD5A2MAPK1MAPTPOLB
SCHEMBL6405989 0.91 NPC1 (0.42) TDP1SRD5A2MAPK1MAPTPOLB
SCHEMBL6404967 0.89 TDP1 (0.41) TDP1SRD5A2MAPK1MAPTPOLB
SCHEMBL6405916 0.89 TDP1 (0.41) TDP1SRD5A2MAPK1MAPTPOLB
SCHEMBL6406723 0.88 PTGS2 (0.44) TDP1PTGS1PTGS2POLB
SCHEMBL6404285 0.88 PTGS2 (0.44) TDP1PTGS1PTGS2POLB
SCHEMBL6409748 0.86 PTGS2 (0.38) TDP1PTGS1PTGS2TBXA2R
SCHEMBL6411077 0.86 PTGS2 (0.38) TDP1PTGS1PTGS2TBXA2R
SCHEMBL6405407 0.83 FFAR4 (0.41) PTGS1PTGS2ALDH1A1

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 1920/4885SRD5A2 205/4885PTGS1 5/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 TDP1 1068/4885SRD5A2 129/4885PTGS1 2/4885

“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.