SCHEMBL5334787

SCHEMBL5334787

[NH]S(=O)(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.44
ALDH1A1 P00352 8/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 2/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
CCR6 P51684 1/20 0.43
GFER P55789 1/20 0.43
ADAM17 P78536 1/20 0.43
DAGLA Q9Y4D2 2/20 0.40
KDM2B Q8NHM5 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH3A1 P30838 1/20 0.39
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 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
SCHEMBL28078918 0.83 ALOX15 (0.47) DRD1ALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL27896313 0.82 ALOX15 (0.46) DRD1ALDH1A1LMNAMEN1KMT2A
SCHEMBL856562 0.79 TRPV4 (0.46) DRD1ALDH1A1LMNAMEN1KMT2A
SCHEMBL13211115 0.79 ENPP2 (0.45) DRD1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5334789 0.79 ALDH1A1 (0.59) ALDH1A1HTTTSHR
SCHEMBL11065049 0.76 DRD1 (0.56) DRD1ALDH1A1LMNAMEN1KMT2A
SCHEMBL22954612 0.76 HTR6 (0.54) DRD1ALDH1A1LMNAMEN1KMT2A
SCHEMBL14572954 0.76 GAA (0.47) DRD1ALDH1A1LMNAMEN1KMT2A
SCHEMBL2376675 0.75 DAGLA (0.41) DRD1ALDH1A1LMNAMEN1KMT2A
SCHEMBL2373108 0.75 ALOX15 (0.43) DRD1ALDH1A1LMNAMEN1KMT2A

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 145/4885ALDH1A1 847/4885LMNA 4347/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S DRD1 1038/4885ALDH1A1 921/4885LMNA 2810/4885

“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.