SCHEMBL3528051

SCHEMBL3528051

COC(=O)CCCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2sc(C)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
CCR9 P51686 2/20 0.40
PKM P14618 1/20 0.39
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37
CCR2 P41597 1/20 0.37
P2RX3 P56373 2/20 0.37
POLB P06746 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
SCHEMBL3524149 0.93 LMNA (0.47) ALDH1A1PPARGPPARDLMNAHTT
SCHEMBL3527568 0.88 TRPV1 (0.43) ALDH1A1LMNAHTTMAPK1ALOX15
SCHEMBL3528328 0.85 TSHR (0.41) ALDH1A1PPARGMAPK1CCR9MAPT
SCHEMBL3529515 0.85 PPARG (0.42) ALDH1A1PPARGPPARDPPARALMNA
SCHEMBL3520224 0.83 TRPV1 (0.45) ALDH1A1LMNAHTTMAPK1ALOX15
SCHEMBL3525579 0.83 CCKBR (0.42) PPARGPPARACCR9HSD11B1MEN1
SCHEMBL3525543 0.83 ALDH1A1 (0.44) ALDH1A1PPARGPPARDPPARALMNA
SCHEMBL3524989 0.83 AKT1 (0.50) MAPK1
SCHEMBL3527218 0.82 ALDH1A1 (0.43) ALDH1A1PPARGPPARDPPARALMNA
SCHEMBL3527869 0.82 CCR9 (0.40) ALDH1A1LMNACCR9PKMMEN1

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 1607/4885PPARG 1018/4885PPARD 677/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG ALDH1A1 1453/4885PPARG 3/4885PPARD 4/4885

“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.