SCHEMBL6407748

SCHEMBL6407748

O=C(O)[C@@H]1Cc2cc(S(=O)(=O)NCc3ccccc3)ccc2O[C@@H]1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
PNMT P11086 1/20 0.47
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.41
CYP19A1 P11511 1/20 0.41
SLC12A2 P55011 1/20 0.41
SLC12A5 Q9H2X9 1/20 0.41
RAB9A P51151 3/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.40
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL6406297 1.00 ALDH1A1 (0.49) ALDH1A1HPGDPNMTKMT2ASMN1; SMN2
SCHEMBL6407986 0.90 PNMT (0.49) ALDH1A1PNMTKMT2ASMN1; SMN2MEN1
SCHEMBL6405604 0.90 PNMT (0.49) ALDH1A1PNMTKMT2ASMN1; SMN2MEN1
SCHEMBL6410822 0.87 POLB (0.49) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL6406059 0.87 POLB (0.49) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL6406257 0.85 HTR6 (0.40) ALDH1A1HPGDPNMTSMN1; SMN2
SCHEMBL6404361 0.85 HTR6 (0.40) ALDH1A1HPGDPNMTSMN1; SMN2
SCHEMBL6406859 0.84 GAA (0.47) ALDH1A1HPGDPNMTKMT2ASMN1; SMN2
SCHEMBL6406107 0.84 GAA (0.47) ALDH1A1HPGDPNMTKMT2ASMN1; SMN2
SCHEMBL6405001 0.83 KMT2A (0.42) ALDH1A1HPGDPNMTKMT2AMEN1

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 5 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
EP-1274700-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS Pharmacia Corporation (US) 2003-01-15 EP disclosed
WO-2001049675-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2001-07-12 WO 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 ALDH1A1 112/4885HPGD 22/4885PNMT 2278/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 ALDH1A1 113/4885HPGD 27/4885PNMT 1854/4885

“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.