SCHEMBL6406059

SCHEMBL6406059

O=C(O)C1Cc2cc(S(=O)(=O)NCc3ccco3)ccc2OC1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
PABPC1 P11940 1/20 0.49
EIF4H Q15056 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
USP2 O75604 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 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
SCHEMBL6410822 1.00 POLB (0.49) POLBPABPC1EIF4HMEN1KMT2A
SCHEMBL6406297 0.87 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6407748 0.87 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6407986 0.81 PNMT (0.49) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL6405604 0.81 PNMT (0.49) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL6406107 0.81 GAA (0.47) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL6406859 0.81 GAA (0.47) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL6412298 0.80 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6407228 0.80 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6406928 0.80 CYP2D6 (0.40) MEN1KMT2AALDH1A1TDP1

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 POLB 2633/4885PABPC1 3272/4885EIF4H 1400/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 POLB 2793/4885PABPC1 3101/4885EIF4H 1773/4885

“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.