SCHEMBL15079334

SCHEMBL15079334

CC(C)(C)OC(=O)NCCCc1ccc(Cl)c(CBr)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
IDO1 P14902 2/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
NQO2 P16083 1/20 0.41
DRD2 P14416 3/20 0.41
LIPG Q9Y5X9 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL18981539 0.96 TDP1 (0.44) CA1CA2IDO1STK17BSTK17A
SCHEMBL15079333 0.89 TDP1 (0.46) CA1CA2IDO1STK17BSTK17A
SCHEMBL14830020 0.86 PYGL (0.53) CA1CA2STK17BSTK17ATDP1
SCHEMBL18981893 0.86 TDP1 (0.48) CA1CA2IDO1STK17BSTK17A
SCHEMBL16751267 0.85 IDO1 (0.46) CA1CA2IDO1STK17BSTK17A
SCHEMBL3652338 0.83 CA1 (0.47) CA1CA2IDO1STK17BSTK17A
SCHEMBL19010897 0.81 TDP1 (0.48) CA1CA2IDO1STK17BSTK17A
SCHEMBL15053206 0.81 PYGL (0.46) KMT2ALIPGKDM4E
SCHEMBL15060095 0.81 TDP1 (0.50) CA1CA2IDO1STK17BSTK17A
SCHEMBL29890066 0.81 CA12 (0.56) CA1CA2IDO1STK17BSTK17A

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 3 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
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 CA1 3962/4885CA2 1959/4885IDO1 1600/4885

“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.