SCHEMBL3528328

SCHEMBL3528328

COC(=O)CCCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2nsnc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CCR9 P51686 3/20 0.40
CCR2 P41597 1/20 0.39
PPARG P37231 1/20 0.38
CCKBR P32239 1/20 0.37
PKLR P30613 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
ACLY P53396 1/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
EGFR P00533 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL3525543 0.85 ALDH1A1 (0.44) CCR9CCR2PPARGCCKBRALDH1A1
SCHEMBL3528051 0.85 ALDH1A1 (0.45) CCR9CCR2PPARGALDH1A1MAPT
SCHEMBL3524149 0.85 LMNA (0.47) PPARGALDH1A1TP53HPGDMAPT
SCHEMBL3529515 0.84 PPARG (0.42) CCR9CCR2PPARGALDH1A1HPGD
SCHEMBL3524588 0.84 CCKBR (0.51) CCKBR
SCHEMBL3525068 0.83 LMNA (0.51) TSHRCCR9ALDH1A1TP53HPGD
SCHEMBL3527869 0.83 CCR9 (0.40) TSHRCCR9CCR2ALDH1A1TP53
SCHEMBL3528825 0.83 ALDH1A1 (0.56) CCR9CCR2ALDH1A1
SCHEMBL3527145 0.83 CCR2 (0.45) CCR9CCR2ALDH1A1TP53MAPT
SCHEMBL3529206 0.82 PPARG (0.42) TSHRCCR9CCR2PPARGALDH1A1

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 TSHR 1967/4885CCR9 2577/4885CCR2 1853/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG TSHR 211/4885CCR9 2408/4885CCR2 875/4885

“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.