SCHEMBL3529261

SCHEMBL3529261

COC(=O)CCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(C)cc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 3/20 0.43
ACLY P53396 4/20 0.41
METAP2 P50579 1/20 0.40
CCR2 P41597 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL3523112 0.94 CCR9 (0.42) CCR9ACLYMETAP2CCR2LMNA
SCHEMBL3527669 0.92 LMNA (0.48) CCR9METAP2CCR2LMNAHTT
SCHEMBL3522957 0.91 FLT1 (0.43) CCR9METAP2CCR2LMNAHTT
SCHEMBL3525803 0.90 ALDH1A1 (0.48) CCR9METAP2CCR2LMNAHTT
SCHEMBL3530147 0.89 CYTH2 (0.43) CCR9ACLYLMNAHTTALDH1A1
SCHEMBL3523698 0.88 ERBB2 (0.50) CCR9ACLYCCR2LMNAHTT
SCHEMBL3525865 0.87 CCR2 (0.48) CCR9ACLYCCR2LMNAHTT
SCHEMBL3527490 0.87 LMNA (0.53) CCR9LMNAHTTALDH1A1TP53
SCHEMBL3526879 0.87 LMNA (0.49) CCR9METAP2CCR2LMNAHTT
SCHEMBL3524039 0.86 CCR9 (0.49) CCR9CCR2LMNAHTTALDH1A1

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 CCR9 2577/4885ACLY 1409/4885METAP2 2107/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG CCR9 2408/4885ACLY 981/4885METAP2 2487/4885

“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.