Sugi Predict

Sugi Predict / Compounds / SCHEMBL6405604

SCHEMBL6405604

SCHEMBL6405604

O=C(O)[C@@H]1Cc2cc(S(=O)(=O)NCCc3ccccc3)ccc2O[C@@H]1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ AKR1C3 P42330 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6407986 1.00 PNMT (0.49) PNMTSMN1; SMN2AKR1C3ALDH1A1MAPT
SCHEMBL6406297 0.90 ALDH1A1 (0.49) PNMTSMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL6407748 0.90 ALDH1A1 (0.49) PNMTSMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL6404361 0.83 HTR6 (0.40) PNMTSMN1; SMN2ALDH1A1POLB
SCHEMBL6406257 0.83 HTR6 (0.40) PNMTSMN1; SMN2ALDH1A1POLB
SCHEMBL6406859 0.82 GAA (0.47) PNMTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL6406107 0.82 GAA (0.47) PNMTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL6406928 0.81 CYP2D6 (0.40) PNMTALDH1A1MEN1KMT2A
SCHEMBL6406375 0.81 CYP2D6 (0.40) PNMTALDH1A1MEN1KMT2A
SCHEMBL6410822 0.81 POLB (0.49) SMN1; SMN2ALDH1A1MAPTPKMLMNA

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 PNMT 2278/4885SMN1; SMN2 1939/4885AKR1C3 156/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PNMT 1854/4885SMN1; SMN2 2327/4885AKR1C3 322/4885

“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.