SCHEMBL3526650

SCHEMBL3526650

COC(=O)CCCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1sc(NC(C)=O)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
PIK3CD O00329 5/20 0.38
PIK3CG P48736 5/20 0.38
PIK3CA P42336 4/20 0.38
PIK3CB P42338 4/20 0.38
PI4KB Q9UBF8 2/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
PIK3C2A O00443 1/20 0.37
PIK3C2B O00750 1/20 0.37
PI4KA P42356 1/20 0.37
PRKDC P78527 1/20 0.37
CCR9 P51686 1/20 0.36
DYRK1A Q13627 1/20 0.36
FSCN1 Q16658 1/20 0.36
GRM4 Q14833 3/20 0.36
PAX8 Q06710 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 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
SCHEMBL3524989 0.84 AKT1 (0.50) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL3523578 0.79 AKT1 (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL3526982 0.79 TSHR (0.44) CCR9MAPT
SCHEMBL3523112 0.78 CCR9 (0.42) CCR9MAPTKMT2ALMNA
SCHEMBL3524149 0.77 LMNA (0.47) MAPTMEN1CYP2C9KMT2ALMNA
SCHEMBL3528051 0.77 ALDH1A1 (0.45) CCR9MAPTMEN1KMT2ALMNA
SCHEMBL3523131 0.77 POLB (0.46) CCR9MAPTMEN1GAAKMT2A
SCHEMBL3525579 0.76 CCKBR (0.42) CCR9MEN1KMT2A
SCHEMBL3525068 0.75 LMNA (0.51) CCR9MAPTMEN1GAAKMT2A
SCHEMBL3528825 0.75 ALDH1A1 (0.56) CCR9MEN1KMT2A

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 RORA 1389/4885RORC 1090/4885RORB 909/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG RORA 164/4885RORC 176/4885RORB 111/4885

“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.