SCHEMBL4574789

SCHEMBL4574789

Cc1ccc(S(=O)(=O)OC(C2CCC2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
ACHE P22303 1/20 0.40
CYP3A4 P08684 1/20 0.40
POLB P06746 1/20 0.39
CYP2D6 P10635 2/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
ENPP3 O14638 2/20 0.36
ENPP1 P22413 2/20 0.36
ENPP2 Q13822 2/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL336360 0.94 CYP2D6 (0.40) ALDH1A1TSHRACHECYP3A4POLB
SCHEMBL24360805 0.82 POLB (0.43) ALDH1A1TSHRCYP3A4POLBENPP3
SCHEMBL5437406 0.82 ALDH1A1 (0.46) ALDH1A1TSHRACHECYP3A4POLB
SCHEMBL10279957 0.82 ALDH1A1 (0.46) ALDH1A1TSHRACHECYP3A4POLB
SCHEMBL14780181 0.80 TSHR (0.45) ALDH1A1TSHRACHECYP3A4POLB
SCHEMBL29132778 0.78 TSHR (0.43) ALDH1A1TSHRACHECYP3A4POLB
SCHEMBL17874040 0.78 TSHR (0.43) ALDH1A1TSHRACHECYP3A4POLB
SCHEMBL4578793 0.77 ALDH1A1 (0.49) ALDH1A1TSHRACHECYP3A4POLB
SCHEMBL3451996 0.77 TSHR (0.42) ALDH1A1TSHRACHECYP3A4POLB
SCHEMBL2754706 0.76 ALDH1A1 (0.51) ALDH1A1TSHRACHECYP3A4POLB

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
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
WO-2008082725-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-07-10 WO 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 (1 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-20080275032-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 ALDH1A1 1191/4885TSHR 3163/4885ACHE 1949/4885

“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.