SCHEMBL3521677

SCHEMBL3521677

COC(=O)CCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2nc(N)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKT1 P31749 2/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR9 P51686 2/20 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
SCHEMBL3529515 0.95 PPARG (0.42) CYP3A4CYP2C9PPARGPPARDPPARA
SCHEMBL3523578 0.88 AKT1 (0.51) AKT1PIK3CAMTORKDM4EHPGD
SCHEMBL3521451 0.88 EPHX2 (0.42) CYP3A4CYP2C9ALDH1A1LMNAHSD17B10
SCHEMBL3524149 0.86 LMNA (0.47) CYP2C9PPARGPPARDALDH1A1LMNA
SCHEMBL3522630 0.85 ALDH1A1 (0.46) PPARGPPARDPPARAALDH1A1LMNA
SCHEMBL3522742 0.83 PPARG (0.41) PPARGPPARDALDH1A1LMNAUSP2
SCHEMBL3524989 0.83 AKT1 (0.50) AKT1PIK3CAMTORKDM4EHPGD
SCHEMBL3525803 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MAPTHTT
SCHEMBL3522938 0.81 ALDH1A1 (0.53) ALDH1A1KMT2ACCR9CCR2
SCHEMBL3527669 0.80 LMNA (0.48) CYP2C9ALDH1A1LMNAMAPTHTT

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 CYP3A4 339/4885CYP2C9 420/4885PPARG 1018/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG CYP3A4 881/4885CYP2C9 1364/4885PPARG 3/4885

“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.