SCHEMBL2810771

SCHEMBL2810771

CCOC(=O)c1[nH]c2ccccc2c1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.56
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR1F P30939 1/20 0.54
HTR7 P34969 1/20 0.54
DRD3 P35462 1/20 0.54
MCL1 Q07820 2/20 0.52
ALDH1A1 P00352 7/20 0.48
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 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
SCHEMBL13168625 0.84 MCL1 (0.63) MCL1ALDH1A1MAPTKDM4E
SCHEMBL7671532 0.84 HTR6 (0.68) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2202702 0.82 MCL1 (0.78) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL5133703 0.81 HTR6 (0.54) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL31744875 0.78 HTR6 (0.62) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL5133829 0.77 HTR6 (0.50) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL6859385 0.77 HTR6 (0.61) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3029129 0.76 HTR6 (0.75) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL15622191 0.76 MCL1 (0.77) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7381366 0.76 HTR6 (0.74) HTR6HTR1ADRD2DRD4HTR1D

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
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US 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 HTR6 52/4885HTR1A 54/4885DRD2 314/4885

“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.