SCHEMBL15612944

SCHEMBL15612944

CC(C)(C)OC(=O)NCCC(N)(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA1 P00915 8/20 0.45
CA2 P00918 8/20 0.45
CA12 O43570 7/20 0.45
CA9 Q16790 7/20 0.45
EPHX1 P07099 1/20 0.45
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL17190641 0.93 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL21275782 0.93 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10030615 0.89 TDP1 (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL2523550 0.88 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
Hydrochloric Acid SCHEMBL2523548 0.86 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7097924 0.84 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL25953755 0.84 TDP1 (0.47) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1557954 0.84 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL11988220 0.83 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3341020 0.83 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA

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-10314922-B2 Trimaleimide linkers and uses thereof NEWBIO THERAPEUTICS, INC. (CN) 2019-06-11 US disclosed
US-20180147295-A1 Trimaleimide Linkers and Uses Thereof NEWBIO THERAPEUTICS, INC. (CN) 2018-05-31 US disclosed
EP-2887963-B1 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) 2017-07-19 EP disclosed
WO-2016192528-A1 Trimaleimide Linkers and Uses Thereof NEWBIO THERAPEUTICS, INC. (CN) 2016-12-08 WO disclosed
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
WO-2014029984-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) 2014-02-27 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 (3 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-20180147295-A1 Trimaleimide Linkers and Uses Thereof TXLNA, TRIM59, NAALAD2 TDP1 1463/4885MEN1 1621/4885GAA 1658/4885
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 4348/4885MEN1 4780/4885GAA 746/4885
US-10314922-B2 Trimaleimide linkers and uses thereof TXLNA, NAALAD2, TTL TDP1 1200/4885MEN1 1472/4885GAA 2219/4885

“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.