SCHEMBL3531315

SCHEMBL3531315

CCOC(=O)C(C)OCC#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 5/20 0.46
LMNA P02545 4/20 0.43
ALDH1A1 P00352 8/20 0.42
TSHR P16473 4/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 3/20 0.41
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL3522601 0.89 SCN9A (0.43) ALDH1A1NPSR1
SCHEMBL3524515 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MAPTLMNAALDH1A1TSHR
SCHEMBL3523884 0.82 MAPT (0.48) SMN1; SMN2MAPTLMNAALDH1A1TSHR
SCHEMBL3529251 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1PKM
SCHEMBL3527789 0.81 ALDH1A1 (0.43) SMN1; SMN2MAPTLMNAALDH1A1TSHR
SCHEMBL3528196 0.77 PTGES2 (0.44) SMN1; SMN2ALDH1A1PKM
SCHEMBL3529189 0.77 MAPT (0.42) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL3528134 0.77 MAPT (0.42) SMN1; SMN2MAPTLMNAALDH1A1TSHR
SCHEMBL3529176 0.74 MAPT (0.43) SMN1; SMN2MAPTLMNAALDH1A1TSHR
SCHEMBL3529520 0.73 HDAC3 (0.40) SMN1; SMN2MAPTLMNAALDH1A1TSHR

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 SMN1; SMN2 2892/4885MAPT 214/4885LMNA 849/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG SMN1; SMN2 3475/4885MAPT 730/4885LMNA 1980/4885

“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.