Sugi Predict

Sugi Predict / Compounds / SCHEMBL17760486

SCHEMBL17760486

SCHEMBL17760486

CC(CC(F)(F)F)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 15/20 0.53
▸ CA1 P00915 10/20 0.48
▸ CA12 O43570 6/20 0.43
▸ CA9 Q16790 6/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ NOS1 P29475 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
SCHEMBL18509335 0.80 HDAC4 (0.56) CA2CA1CA12CA9CA4
SCHEMBL23364593 0.78 CA2 (0.61) CA2CA1CA12CA9CA4
SCHEMBL84614 0.78 CA2 (0.61) CA2CA1CA12CA9CA4
SCHEMBL17760485 0.77 CA2 (0.47) CA2CA1CA12CA9CA4
SCHEMBL4631093 0.76 CA2 (0.59) CA2CA1CA12CA9CA4
SCHEMBL12052154 0.76 CA2 (0.59) CA2CA1CA12CA9CA4
SCHEMBL8249478 0.76 CA2 (0.59) CA2CA1CA12CA9CA4
SCHEMBL7137010 0.75 CA2 (0.57) CA2CA1CA12CA9CA4
Hydrochloric Acid SCHEMBL31365115 0.75 CA2 (0.57) CA2CA1CA12CA9CA4
Hydrochloric Acid SCHEMBL7142051 0.75 CA2 (0.57) CA2CA1CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212641-A1 THIAZOLES AS MODULATORS OF RORyt Janssen Pharmaceutica NV (BE) 2017-09-06 — — EP disclosed
WO-2016069976-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 — — WO disclosed