SCHEMBL17190641

SCHEMBL17190641

CCCC(N)(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 9/20 0.41
CA12 O43570 8/20 0.41
CA2 P00918 8/20 0.41
CA9 Q16790 7/20 0.41
EPHX1 P07099 1/20 0.41
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL21275782 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
SCHEMBL15612944 0.93 TDP1 (0.55) TDP1MAOAMAOBMEN1GAA
SCHEMBL10030615 0.82 TDP1 (0.61) TDP1MAOAMAOBMEN1GAA
SCHEMBL21687743 0.82 TDP1 (0.51) TDP1MAOAMAOBMEN1GAA
SCHEMBL23655452 0.82 MEN1 (0.46) TDP1MAOAMAOBMEN1GAA
SCHEMBL2523550 0.82 TDP1 (0.55) TDP1MAOAMAOBMEN1GAA
SCHEMBL24389198 0.81 TDP1 (0.50) TDP1MAOAMAOBMEN1GAA
Hydrochloric Acid SCHEMBL2523548 0.80 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL61208 0.79 TDP1 (0.60) TDP1MAOAMAOBMEN1GAA
SCHEMBL16858317 0.79 TDP1 (0.45) TDP1MAOAMAOBMEN1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299131-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC (US) 2015-10-22 US 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-20150299131-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 TDP1 4348/4885MAOA 4241/4885MAOB 3991/4885

“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.