SCHEMBL2552584

SCHEMBL2552584

CCOC(=O)Cc1c(C(=O)OCC)sc(N(CC(=O)OCC)CC(=O)OCC)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
FNTA P49354 10/20 0.41
FNTB P49356 10/20 0.41
APOBEC3G Q9HC16 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BRCA1 P38398 1/20 0.39
BRAF P15056 2/20 0.39
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1289601 0.91 L3MBTL1 (0.41) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL2551044 0.90 RXFP1 (0.52) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL1922242 0.87 L3MBTL1 (0.40) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL2553694 0.86 RXFP1 (0.53) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL4382831 0.85 ALDH1A1 (0.37) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL2228571 0.84 L3MBTL1 (0.37) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL18430411 0.82 L3MBTL1 (0.54) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL516264 0.81 PLA2G1B (0.41) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL2554376 0.80 L3MBTL1 (0.74) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL1922260 0.78 PLA2G1B (0.43) L3MBTL1RXFP1ALDH1A1HPGDKDM4E

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
WO-2011124992-A1 SUBSTANTIALLY PURE STRONTIUM RANELATE ACTAVIS GROUP PTC EHF (IS) 2011-10-13 WO claimed
WO-2013113319-A1 PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE, INTERMEDIATE OR HYDRATES THEREOF PHARMATHEN S.A. (GR) 2013-08-08 WO disclosed
WO-2012163309-A1 STABLE CRYSTALLINE FORM X OF STRONTIUM RANELATE ZENTIVA, K.S. (CZ) 2012-12-06 WO disclosed
US-8063100-B2 Process for the synthesis of strontium ranelate and its hydrates LES LABORATOIRES SERVIER (FR) 2011-11-22 US disclosed
WO-2011124992-A1 SUBSTANTIALLY PURE STRONTIUM RANELATE ACTAVIS GROUP PTC EHF (IS) 2011-10-13 WO disclosed
US-20090082578-A1 Process for the synthesis of strontium ranelate and its hydrates LES LABORATOIRES SERVIER (FR) 2009-03-26 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-20090082578-A1 Process for the synthesis of strontium ranelate and its hydrates STAU1, RANBP1, RAN L3MBTL1 4713/4885RXFP1 3204/4885ALDH1A1 1777/4885

“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.