SCHEMBL5334789

SCHEMBL5334789

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
HTT P42858 1/20 0.59
SOS1 Q07889 3/20 0.55
CA12 O43570 14/20 0.51
CA2 P00918 14/20 0.51
CA9 Q16790 14/20 0.51
CA1 P00915 13/20 0.51
CA7 P43166 13/20 0.51
CA4 P22748 6/20 0.51
CA5A P35218 5/20 0.51
CA5B Q9Y2D0 5/20 0.51
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.46
CA6 P23280 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AGO2 Q9UKV8 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PTGS2 P35354 1/20 0.46

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 0.79 ALOX15 (0.47) ALDH1A1HTTTSHRTDP1
SCHEMBL13211115 0.79 ENPP2 (0.45) ALDH1A1HTTPTGS2
SCHEMBL856562 0.79 TRPV4 (0.46) ALDH1A1HTTTDP1
SCHEMBL5334787 0.79 DRD1 (0.44) ALDH1A1HTTTSHR
SCHEMBL189284 0.79 ALDH1A1 (0.59) ALDH1A1HTTSOS1CA12CA2
Hydrochloric Acid SCHEMBL27896313 0.78 ALOX15 (0.46) ALDH1A1HTTTSHRTDP1
SCHEMBL12310498 0.77 CA2 (0.55) CA12CA2CA9CA1CA7
SCHEMBL11065049 0.76 DRD1 (0.56) ALDH1A1HTT
SCHEMBL14572954 0.76 GAA (0.47) ALDH1A1HTT
SCHEMBL22954612 0.76 HTR6 (0.54) ALDH1A1HTTCA12CA2CA9

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 14 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
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-107098846-B N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-10-09 CN disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
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 (3 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1999/4885HTT 2668/4885SOS1 3644/4885
US-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S ALDH1A1 847/4885HTT 3381/4885SOS1 1443/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S ALDH1A1 921/4885HTT 3924/4885SOS1 1539/4885

“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.