SCHEMBL15060095

SCHEMBL15060095

CC(C)(C)OC(=O)NCCCCCc1cc(Cl)c(CBr)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
IDO1 P14902 2/20 0.45
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
DRD2 P14416 4/20 0.44
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL19010897 0.99 TDP1 (0.48) TDP1MAOAMAOBIDO1STK17B
SCHEMBL16751267 0.95 IDO1 (0.46) TDP1MAOAMAOBIDO1STK17B
SCHEMBL18982261 0.92 TDP1 (0.44) TDP1MAOAMAOBIDO1STK17B
SCHEMBL16738531 0.89 TDP1 (0.55) TDP1MAOAMAOBIDO1STK17B
SCHEMBL16738634 0.87 TDP1 (0.52) TDP1MAOAMAOBIDO1STK17B
SCHEMBL16738499 0.84 TDP1 (0.47) TDP1MAOAMAOBIDO1STK17B
SCHEMBL18981539 0.84 TDP1 (0.44) TDP1IDO1STK17BSTK17ADRD2
SCHEMBL16751266 0.83 TDP1 (0.50) TDP1MAOAMAOBIDO1STK17B
SCHEMBL19011257 0.82 TDP1 (0.49) TDP1MAOAMAOBCA12CA1
SCHEMBL15079334 0.81 CA1 (0.43) TDP1IDO1STK17BSTK17ADRD2

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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR TDP1 1293/4885MAOA 1981/4885MAOB 1883/4885

“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.