SCHEMBL3526982

SCHEMBL3526982

COC(=O)CCCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1c(C)nn(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
FPR2 P25090 8/20 0.41
PROKR1 Q8TCW9 8/20 0.41
CCR9 P51686 2/20 0.39
CCR2 P41597 1/20 0.39
NMT1 P30419 3/20 0.38
ACLY P53396 2/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 2/20 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
SCHEMBL3523131 0.84 POLB (0.46) TSHRCCR9ACLYMAPTTP53
SCHEMBL3523112 0.81 CCR9 (0.42) CCR9CCR2ACLYMAPTTP53
SCHEMBL3523945 0.81 CCR2 (0.45) CCR9CCR2ACLYMAPT
SCHEMBL3526650 0.79 RORA (0.41) CCR9MAPT
SCHEMBL3525068 0.79 LMNA (0.51) TSHRCCR9MAPTTP53
SCHEMBL3530147 0.78 CYTH2 (0.43) TSHRCCR9ACLYMAPTTP53
SCHEMBL3527145 0.78 CCR2 (0.45) CCR9CCR2MAPTTP53
SCHEMBL3520453 0.78 ERBB2 (0.47) CCR9CCR2ACLYMAPT
SCHEMBL3526360 0.77 PTGES2 (0.48) ACLYMAPT
SCHEMBL3527759 0.76 SLC16A3 (0.48) CCR9MAPT

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 1967/4885FPR2 2988/4885PROKR1 3476/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG TSHR 211/4885FPR2 1013/4885PROKR1 1416/4885

“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.