SCHEMBL6406257

SCHEMBL6406257

O=C(O)C1Cc2cc(S(=O)(=O)Cc3ccccc3)ccc2OC1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.36
DAO P14920 1/20 0.36
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PNMT P11086 1/20 0.34
FEN1 P39748 1/20 0.34
POLB P06746 1/20 0.34
RORC P51449 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL6404361 1.00 HTR6 (0.40) HTR6TSHRHSD17B10CYP2C9DAO
SCHEMBL6407748 0.85 ALDH1A1 (0.49) SMN1; SMN2PNMTALDH1A1HPGD
SCHEMBL6406297 0.85 ALDH1A1 (0.49) SMN1; SMN2PNMTALDH1A1HPGD
SCHEMBL6405604 0.83 PNMT (0.49) SMN1; SMN2PNMTPOLBALDH1A1
SCHEMBL6407986 0.83 PNMT (0.49) SMN1; SMN2PNMTPOLBALDH1A1
SCHEMBL6406276 0.82 PNMT (0.43) CYP2C9MMP3MMP8PNMTRORC
SCHEMBL6409784 0.82 PNMT (0.43) PNMT
SCHEMBL6410836 0.82 PNMT (0.43) PNMT
SCHEMBL6403549 0.82 PNMT (0.43) CYP2C9MMP3MMP8PNMTRORC
SCHEMBL6405430 0.79 TSHR (0.38) TSHRSMN1; SMN2ALDH1A1

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 HTR6 461/4885TSHR 1614/4885HSD17B10 316/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 HTR6 534/4885TSHR 1759/4885HSD17B10 299/4885

“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.