SCHEMBL13055293

SCHEMBL13055293

CC(O)(COC=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL5752283 0.79 ACLY (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL28108027 0.77 ALDH1A1 (0.31) ALDH1A1HIF1A
SCHEMBL18176761 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL26852304 0.76
SCHEMBL5365915 0.75
SCHEMBL28203 0.75
SCHEMBL277359 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18561743 0.74 CYP2D6 (0.38) TSHRCYP2D6CYP2C19HIF1A
SCHEMBL5524511 0.73
SCHEMBL15522375 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838023-B2 Furoxan compounds, compositions and methods of use NITROMED, INC. (US) 2010-11-23 US disclosed
US-7595313-B2 Nitric oxide donating diuretic compounds, compositions and methods of use NICOX, S.A. (FR) 2009-09-29 US disclosed
US-20080268014-A1 Furoxan Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-10-30 US disclosed
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2008-10-16 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 (2 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-20080268014-A1 Furoxan Compounds, Compositions and Methods of Use PTGIS, F3, PTGIR TET2 1476/4885TSHR 3423/4885ALDH1A1 681/4885
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS1, NOS3, NOS2 TET2 2665/4885TSHR 2150/4885ALDH1A1 954/4885

“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.