SCHEMBL6134887

SCHEMBL6134887

COC(=O)c1cc(B(O)O)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.45
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 4/20 0.38
KMT2A Q03164 1/20 0.36
CYP17A1 P05093 1/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
HIF1A Q16665 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL3784938 0.84 HPGD (0.44) RXFP1CYP17A1HPGDCYP1A2CYP2C19
SCHEMBL1082793 0.83 CA12 (0.54) ATRRXFP1KDM4EALDH1A1GAA
SCHEMBL169631 0.82 HTT (0.44) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL21682754 0.82 SMN1; SMN2 (0.44) RXFP1ALDH1A1KMT2ACYP17A1HPGD
SCHEMBL24269577 0.81 ATR (0.53) ATRRXFP1KDM4EALDH1A1GAA
SCHEMBL1256341 0.81 CYP17A1 (0.50) RXFP1CYP17A1CA12CA1CA9
SCHEMBL6163196 0.81 GAA (0.49) ATRRXFP1KDM4EALDH1A1GAA
SCHEMBL31012013 0.81 ALDH1A1 (0.58) ATRRXFP1ALDH1A1GAASMN1; SMN2
SCHEMBL19032231 0.81 ALDH1A1 (0.58) ATRRXFP1ALDH1A1GAASMN1; SMN2
SCHEMBL29956067 0.81 CYP17A1 (0.50) RXFP1CYP17A1CA12CA1CA9

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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US disclosed
EP-1483236-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076397-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ATR 2675/4885RXFP1 94/4885KDM4E 1833/4885

“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.