SCHEMBL3522601

SCHEMBL3522601

CCOC(=O)C(C)OCC#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc2c(c1)OCCN2C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
SCN5A Q14524 7/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3528196 0.89 PTGES2 (0.44) SCN9AALDH1A1HTTRECQLPTGES2
SCHEMBL3531315 0.89 SMN1; SMN2 (0.48) ALDH1A1NPSR1
SCHEMBL3519731 0.83 PTGES2 (0.46) SCN9AALDH1A1HTTRECQLPTGES2
SCHEMBL3524515 0.78 SMN1; SMN2 (0.48) ALDH1A1HTTRECQLCYP2C9
SCHEMBL3529251 0.77 ALDH1A1 (0.44) ALDH1A1NPSR1
SCHEMBL3527789 0.77 ALDH1A1 (0.43) ALDH1A1HTTCYP2C9
SCHEMBL3527579 0.73 PPARG (0.45) SCN9AALDH1A1HTTRECQLHDAC3
SCHEMBL3529189 0.73 MAPT (0.42) ALDH1A1HTTNPSR1
SCHEMBL3523101 0.73 PTGES2 (0.47) SCN9AALDH1A1HTTRECQLPTGES2
SCHEMBL3523884 0.71 MAPT (0.48) SCN9AALDH1A1HTTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436040-B2 Method of treating conditions involving PPAR-receptors with indole compounds LABORATOIRES FOURNIER S.A. (FR) 2013-05-07 US disclosed
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds LABORATORIES FOURNIER S.A. (FR) 2010-11-11 US disclosed
US-7795297-B2 Indole compounds, method of preparing them and uses thereof LABORATORIES FOURNIER S.A. (FR) 2010-09-14 US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 US 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-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP SCN9A 2712/4885ALDH1A1 1607/4885HTT 73/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG SCN9A 3777/4885ALDH1A1 1453/4885HTT 229/4885

“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.