SCHEMBL3522101

SCHEMBL3522101

C#CCOC(C)(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
PPARA Q07869 3/20 0.32
PPARG P37231 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
CYP2D6 P10635 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP1A2 P05177 2/20 0.31
MAPT P10636 2/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4130185 0.78 DGAT1 (0.34) TSHRALDH1A1CYP3A4
SCHEMBL7167428 0.76
SCHEMBL15413024 0.74 CYP4F2 (0.33) NPC1
SCHEMBL20049727 0.71
SCHEMBL26131627 0.71 TSHR (0.44) TSHRSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL642729 0.70
SCHEMBL6972555 0.70 NPC1 (0.37) TSHRSLC1A3SLC1A2SLC1A1NPC1
SCHEMBL19178951 0.69 ACHE (0.33) HSD17B10
SCHEMBL5320376 0.69
SCHEMBL7932802 0.69 PPARA (0.41) TSHRPPARAPPARGALDH1A1CYP2D6

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 9 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-7728002-B2 Use of pyrrolopyridine compounds for activating PPAR receptors and treatment of conditions involving such receptors LABORATOIRES FOURNIER S.A. (FR) 2010-06-01 US disclosed
US-20090239856-A1 Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors LABORATOIRES FOURNIER S.A. (FR) 2009-09-24 US disclosed
US-7557122-B2 Pyrrolopyridine compounds, method of making them and uses thereof LABORATOIRES FOURNIER S.A. (FR) 2009-07-07 US disclosed
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-08-21 US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 US disclosed
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 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 (4 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-20090239856-A1 Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors PPARD, PPARA, PPARG TSHR 130/4885SLC1A3 2689/4885SLC1A2 1958/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP TSHR 3901/4885SLC1A3 2700/4885SLC1A2 1906/4885
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP TSHR 1967/4885SLC1A3 1036/4885SLC1A2 465/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG TSHR 211/4885SLC1A3 1490/4885SLC1A2 723/4885

“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.