SCHEMBL2807883

SCHEMBL2807883

COCCOc1cc(O)cc(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.44
CNR1 P21554 10/20 0.43
CNR2 P34972 8/20 0.43
CALM1 P0DP23 1/20 0.41
PTGS2 P35354 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
CBFB Q13951 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
SCHEMBL2810509 0.89 CBFB (0.41) ACHECBFB
SCHEMBL14925300 0.85 CNR1 (0.40) CNR1CNR2CALM1
SCHEMBL2497321 0.85 CHRNB2 (0.39) CNR1CNR2CALM1
SCHEMBL8263863 0.84 ALDH1A1 (0.41) CNR1CNR2CALM1CBFB
SCHEMBL13815332 0.84 CNR1 (0.50) ACHEGPBAR1CNR1CNR2PTGS2
SCHEMBL2346672 0.84 ACHE (0.50) ACHEGPBAR1CNR1CNR2CALM1
SCHEMBL7730261 0.82 CNR1 (0.56) ACHECNR1CNR2PTGS2
SCHEMBL3134747 0.82 DAO (0.39) CNR1CNR2CBFB
SCHEMBL11956987 0.81 HTR1A (0.40) CBFB
SCHEMBL18860620 0.81 MAPT (0.43) CBFB

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 7 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
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
CN-101563322-A 1H-indole-2-carboxylic acid derivatives useful as PPAR modulators SMITHKLINE BEECHAM CORPORAITON (US) 2009-10-21 CN 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
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 ACHE 3708/4885GPBAR1 82/4885CNR1 28/4885

“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.