SCHEMBL2811225

SCHEMBL2811225

COc1ccc(-c2c(C(=O)O)n(Cc3cc(-c4ccc(C(=O)O)cc4)ccc3C)c3ccccc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
EDNRB P24530 5/20 0.43
F2RL3 Q96RI0 5/20 0.43
EDNRA P25101 3/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPT P10636 1/20 0.39
MKNK2 Q9HBH9 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
FOLH1 Q04609 2/20 0.38
MAP4K4 O95819 2/20 0.38
OXTR P30559 1/20 0.38
CDC7 O00311 1/20 0.38
EEF2K O00418 1/20 0.38
DAPK3 O43293 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
SCHEMBL2805824 0.83 ALDH1A1 (0.51) MEN1USP2ALDH1A1KMT2AEDNRB
SCHEMBL2810186 0.81 SERPINE1 (0.54) MEN1USP2ALDH1A1KMT2AEDNRB
SCHEMBL2810080 0.80 EDNRB (0.46) MEN1KMT2AEDNRBF2RL3EDNRA
SCHEMBL2810361 0.77 SERPINE1 (0.51) MEN1USP2ALDH1A1KMT2AEDNRB
SCHEMBL2808191 0.75 SERPINE1 (0.45) MEN1USP2ALDH1A1KMT2AEDNRB
SCHEMBL2809001 0.74 SERPINE1 (0.50) MEN1USP2ALDH1A1KMT2AEDNRB
SCHEMBL2805537 0.73 SERPINE1 (0.46) MEN1USP2ALDH1A1KMT2AEDNRB
SCHEMBL2807914 0.73 SERPINE1 (0.54) MEN1USP2ALDH1A1KMT2AEDNRB
SCHEMBL2808044 0.73 ALOX5AP (0.46) MEN1KMT2AEDNRBF2RL3EDNRA
SCHEMBL13168630 0.72 PIN1 (0.44) MEN1USP2ALDH1A1KMT2AEDNRB

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 5 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
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 MEN1 4809/4885USP2 2908/4885ALDH1A1 402/4885

“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.