SCHEMBL2892376

SCHEMBL2892376

[2H]CC(C)(OC(=O)NCCBr)C([2H])([2H])[2H]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
EPHX1 P07099 1/20 0.38
BCHE P06276 1/20 0.37
FAAH O00519 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL24625 0.85 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL2888762 0.84 TDP1 (0.54) TDP1MEN1GAAKMT2AMAOA
SCHEMBL24485691 0.75 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7434 0.74 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL229087 0.73 TDP1 (0.68) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3341020 0.72 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1041731 0.71 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL21596987 0.71 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL19460948 0.71 TDP1 (0.71) TDP1MEN1GAAKMT2AMAOA
SCHEMBL18604607 0.71 TDP1 (0.71) 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-9526711-B2 Biphenyl-3-carboxylic acid modulators of beta-3-adrenoreceptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-12-27 US disclosed
US-20160279086-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2016-09-29 US disclosed
US-9394239-B2 Biphenyl-3-carboxylic acid modulators of beta-3-adrenoreceptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20140286931-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR AUSPEX PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-8778998-B2 Biphenyl-3-carboxylic acid modulators of beta-3-adrenoreceptor AUSPEX PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20100286275-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 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 (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-20100286275-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR ADRB3, ADRB1, ADRA2C TDP1 4614/4885MEN1 4307/4885GAA 2625/4885
US-20160279086-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR ADRB3, ADRB1, ADRA2C TDP1 4614/4885MEN1 4307/4885GAA 2625/4885
US-20140286931-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR ADRB3, ADRB1, ADRA2C TDP1 4614/4885MEN1 4307/4885GAA 2625/4885

“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.