SCHEMBL2808055

SCHEMBL2808055

CCOC(=O)c1c(Br)c2ccccc2n1Cc1cc(-c2ccc(C(=O)OC)cc2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
PTGER4 P35408 7/20 0.43
F2RL3 Q96RI0 2/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.41
F10 P00742 1/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2810393 0.86 F10 (0.50) PTGER4F2RL3F10LMNADRD2
SCHEMBL2806729 0.86 KMT2A (0.45) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL2806589 0.84 SERPINE1 (0.43) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL13168960 0.77 F10 (0.49) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2807928 0.74 KDM4E (0.44) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL2206316 0.73 KMT2A (0.56) MEN1KMT2AALDH1A1NPSR1KDM4E
SCHEMBL13168313 0.73 PLA2G2A (0.44) F10
SCHEMBL2808197 0.73 PLA2G2A (0.46) MAPTKDM4EGAAF2RL3F10
SCHEMBL2806158 0.73 KMT2A (0.45) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL8856909 0.72 ELANE (0.48) MEN1KMT2AALDH1A1MAPTNPSR1

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 6 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
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 4809/4885KMT2A 2100/4885ALDH1A1 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.