SCHEMBL5335708

SCHEMBL5335708

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ PTGES2 Q9H7Z7 1/20 0.50
▸ MMP1 P03956 2/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ OXTR P30559 2/20 0.48
▸ AVPR1A P37288 2/20 0.48
▸ KIF11 P52732 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ EEF2K O00418 1/20 0.46
▸ SLC40A1 Q9NP59 1/20 0.46
▸ HSD11B1 P28845 1/20 0.45
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45

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
SCHEMBL13588309 0.79 CA1 (0.56) CYP2D6CYP2C9CA1CA2PTGES2
SCHEMBL423265 0.78 CA1 (0.57) CA1CA2MMP1MEN1KMT2A
SCHEMBL24360884 0.77 PTGES2 (0.54) CA1CA2PTGES2MMP1CYP19A1
SCHEMBL5339117 0.77 FFAR4 (0.54) CA1CA2MMP1KIF11MMP2
SCHEMBL12054697 0.76 CA1 (0.53) CYP2D6CYP2C9CA1CA2PTGES2
SCHEMBL22446711 0.76 CA1 (0.53) CYP2D6CYP2C9CA1CA2PTGES2
SCHEMBL2498363 0.76 MMP1 (0.62) CA1CA2MMP1CYP19A1KIF11
SCHEMBL2371994 0.76 ALDH1A1 (0.68) CA1CA2PTGES2MMP1CYP19A1
SCHEMBL2371991 0.76 CA1 (0.53) CYP2D6CYP2C9CA1CA2PTGES2
SCHEMBL418659 0.76 KIF11 (0.55) CYP2D6CYP2C9CA1CA2PTGES2

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 6 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
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 CYP2D6 114/4885CYP2C9 378/4885CA1 1141/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S CYP2D6 785/4885CYP2C9 1825/4885CA1 2057/4885

“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.

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