SCHEMBL13445490

SCHEMBL13445490

COC(=O)N(CCN(C(=O)OC)C(=O)OC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA4 P43681 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL7430219 0.75 TDP1 (0.38) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL21098122 0.73 DGAT1 (0.41) CHRNB2CHRNA4
SCHEMBL3422199 0.73 CA14 (0.45)
SCHEMBL14707175 0.73 MEN1 (0.42) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL7026655 0.73 CHRM2 (0.40) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL6511216 0.73 ALDH1A1 (0.33) MEN1KMT2ATSHRALDH1A1
SCHEMBL4588341 0.71 ALDH1A1 (0.35) TSHRALDH1A1MGAMGAASI
SCHEMBL15866678 0.71 ALDH1A1 (0.35) TSHRALDH1A1MGAMGAASI
SCHEMBL1583473 0.69 ALDH1A1 (0.44) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL27695438 0.69 TDP1 (0.33) TSHRALDH1A1HSD17B10MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950998-B2 Sulphated chelating agent WARDOYO HARYANTO (ID) 2018-04-24 US disclosed
US-9950998-B2 Sulphated chelating agent WARDOYO HARYANTO (ID) 2018-04-24 US disclosed
US-20150315135-A1 Sulphated Chelating Agent WARDOYO HARYANTO (ID) 2015-11-05 US disclosed
US-20150315135-A1 Sulphated Chelating Agent WARDOYO HARYANTO (ID) 2015-11-05 US disclosed
US-7683202-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-23 US disclosed
US-20080249252-A1 New permanent surface modifiers PICCINELLI PIERO 2008-10-09 US disclosed
US-7408077-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 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-20080249252-A1 New permanent surface modifiers SGMS1, SGMS2, PLIN5 MEN1 4358/4885KMT2A 1186/4885TSHR 3501/4885
US-20150315135-A1 Sulphated Chelating Agent SLC40A1, MSR1, SLC30A5 MEN1 1984/4885KMT2A 3061/4885TSHR 3103/4885

“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.