SCHEMBL1919103

SCHEMBL1919103

CC1(C)O[C@H]2C[C@H](C(=O)O)C[C@H]2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
CYP2C19 P33261 3/20 0.37
MGAM O43451 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
ACHE P22303 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPK1 P28482 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 2/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GABRR1 P24046 1/20 0.32
PPP5C P53041 1/20 0.31
SLC6A4 P31645 1/20 0.31
PMP22 Q01453 3/20 0.31
TP53 P04637 2/20 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
SCHEMBL1919099 1.00 APLNR (0.44) APLNRCYP2C19MGAMCA1CA2
SCHEMBL1919105 1.00 APLNR (0.44) APLNRCYP2C19MGAMCA1CA2
SCHEMBL21703886 0.77 CHRNB2 (0.46) MAPK1NPSR1ALDH1A1TP53SMN1; SMN2
SCHEMBL17583755 0.77 CHRNB2 (0.46) MAPK1NPSR1ALDH1A1TP53SMN1; SMN2
SCHEMBL636644 0.77 CHRNB2 (0.46) MAPK1NPSR1ALDH1A1TP53SMN1; SMN2
SCHEMBL29607875 0.74 MAPK1 (0.32) MAPK1NPSR1
SCHEMBL8323981 0.72 MAPK1 (0.41) MGAMCA1CA2GAASI
SCHEMBL3489854 0.72
SCHEMBL1866352 0.72
SCHEMBL3450593 0.72

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
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP disclosed
EP-2326652-A1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS Merck Sharp & Dohme Corp. (US) 2011-06-01 EP disclosed
WO-2010014516-A1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK & CO., INC. (US) 2010-02-04 WO disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 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-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 APLNR 880/4885CYP2C19 583/4885MGAM 4346/4885

“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.