SCHEMBL2805877

SCHEMBL2805877

CS(=O)(=O)OCc1cccc(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.58
AKR1B1 P15121 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
GSTP1 P09211 2/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP14 P50281 1/20 0.52
ADAM17 P78536 1/20 0.52
NPC1 O15118 1/20 0.51
AR P10275 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR4A2 P43354 1/20 0.51
MCL1 Q07820 1/20 0.50
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
CA12 O43570 1/20 0.48

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
SCHEMBL874437 0.85 AR (0.62) FFAR1FFAR4NPC1ARHPGD
SCHEMBL13168315 0.85 FFAR1 (0.45) FFAR1AKR1B1FFAR4NPC1RAB9A
SCHEMBL2617478 0.84 MAOB (0.57) FFAR1NPC1ARHPGDRAB9A
SCHEMBL6286312 0.81 IDO1 (0.52) FFAR1GSTP1CA1CA2CA9
SCHEMBL5373770 0.80 AR (0.55) GSTP1NPC1ARHPGDRAB9A
SCHEMBL16346074 0.78 GSTP1 (0.66) FFAR1AKR1B1FFAR4GSTP1NR4A2
SCHEMBL4053741 0.77 PRKCI (0.53) FFAR1
SCHEMBL21408110 0.77 NR4A2 (0.66) FFAR1AKR1B1FFAR4GSTP1NR4A2
SCHEMBL23483029 0.77 LMNA (0.69) FFAR1GSTP1NPC1RAB9ASMN1; SMN2
SCHEMBL1096817 0.77 LMNA (0.69) FFAR1GSTP1NPC1RAB9ASMN1; SMN2

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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
EP-2081894-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SmithKline Beecham Corporation (US) 2009-07-29 EP disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO 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 (1 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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators PPARD, PPARA, PPARG FFAR1 30/4885AKR1B1 1263/4885FFAR4 43/4885

“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.