SCHEMBL3525396

SCHEMBL3525396

COC(=O)CCC#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc2ncsc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
GLO1 Q04760 1/20 0.41
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
CCKBR P32239 1/20 0.39
MEN1 O00255 3/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SCN9A Q15858 5/20 0.36
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
SCN5A Q14524 2/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL3524894 0.95 ALDH1A1 (0.42) ALDH1A1PKMGLO1NTRK1NTRK2
SCHEMBL3522630 0.87 ALDH1A1 (0.46) ALDH1A1PKMGLO1CCKBRMEN1
SCHEMBL3522354 0.86 LMNA (0.46) ALDH1A1PKMMEN1KMT2AKDM4E
SCHEMBL3521451 0.85 EPHX2 (0.42) ALDH1A1PKMPOLBKMT2AKDM4E
SCHEMBL3740583 0.85 ALDH1A1 (0.42) ALDH1A1PKMGLO1NTRK1NTRK2
SCHEMBL3522958 0.83 DYRK1A (0.52) AKT1PIK3CAMTOR
SCHEMBL3520224 0.83 TRPV1 (0.45) ALDH1A1PKMPOLBNPC1RAB9A
SCHEMBL3525543 0.83 ALDH1A1 (0.44) ALDH1A1PKMGLO1CCKBRMEN1
SCHEMBL3529251 0.81 ALDH1A1 (0.44) ALDH1A1PKMGLO1NTRK1NTRK2
SCHEMBL3524774 0.81 ALDH1A1 (0.41) ALDH1A1POLBKDM4ESCN9AKDM1A

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 ALDH1A1 1607/4885PKM 728/4885GLO1 311/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG ALDH1A1 1453/4885PKM 747/4885GLO1 1071/4885

“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.