SCHEMBL5338328

SCHEMBL5338328

O=CNS(=O)(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.46
ALOX15 P16050 2/20 0.41
GFER P55789 1/20 0.41
ADAM17 P78536 1/20 0.41
ALDH3A1 P30838 1/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DAGLA Q9Y4D2 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL2373108 0.79 ALOX15 (0.43) DRD1ALOX15GFERADAM17ALDH3A1
SCHEMBL2373111 0.79 SMN1; SMN2 (0.63) DRD1ALOX15GFERADAM17ALDH3A1
SCHEMBL5335393 0.77 CA1 (0.61) ALDH1A1LMNASMN1; SMN2FFAR4PKM
SCHEMBL5338319 0.76 ALDH3A1 (0.43) DRD1ALOX15GFERADAM17ALDH3A1
SCHEMBL5339117 0.76 FFAR4 (0.54) ADAM17HDAC3HDAC4HDAC1HDAC7
SCHEMBL2371138 0.75 FFAR4 (0.43) DRD1ALOX15GFERADAM17ALDH3A1
SCHEMBL423265 0.74 CA1 (0.57) ALDH1A1MEN1KMT2APKM
SCHEMBL2371139 0.73 KDM4E (0.56) ALDH1A1KITLMNASMN1; SMN2HTT
SCHEMBL22954612 0.73 HTR6 (0.54) DRD1ALOX15GFERADAM17ALDH1A1
SCHEMBL5334789 0.72 ALDH1A1 (0.59) ALDH1A1HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US claimed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP claimed
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP disclosed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S DRD1 145/4885ALOX15 13/4885GFER 859/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S DRD1 1038/4885ALOX15 9/4885GFER 252/4885

“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.