SCHEMBL9972863

SCHEMBL9972863

CN(CCOCC(O)CO)CCOCC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
HSD17B10 Q99714 1/20 0.37
LMNA P02545 4/20 0.35
CYP1A2 P05177 2/20 0.35
AGTR1 P30556 1/20 0.35
KDM4E B2RXH2 2/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL17154471 0.94 USP2 (0.47) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL9972859 0.91 USP2 (0.44) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL9972862 0.89 USP2 (0.43) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL4249632 0.87 USP2 (0.52) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL18560978 0.80 HSD17B10 (0.41) USP2HSD17B10LMNAKDM4EMEN1
SCHEMBL24615028 0.79 USP2 (0.58) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL19151386 0.79 USP2 (0.58) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL1881943 0.78 USP2 (0.60) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL4594915 0.77 USP2 (0.46) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL374763 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187810-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME ACTELION PHARMACEUTICALS, LTD. (CH) 2014-07-03 US disclosed
US-8501818-B2 Stabilized compositions of alkylating agents and methods of using same CEPTARIS THERAPEUTICS, INC. (US) 2013-08-06 US disclosed
US-20120157545-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS ACTELION PHARMACEUTICALS, LTD. (CH) 2012-06-21 US disclosed
US-20110039943-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS ACTELION PHARMACEUTICALS, LTD. (CH) 2011-02-17 US disclosed
US-20100152300-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME HELSINN HEALTHCARE SA (CH) 2010-06-17 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 (4 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-20110039943-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS S100A8, CUTA, S100A4 USP2 1995/4885HSD17B10 2678/4885LMNA 2387/4885
US-20100152300-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 USP2 1431/4885HSD17B10 4584/4885LMNA 2236/4885
US-20140187810-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 USP2 1431/4885HSD17B10 4584/4885LMNA 2236/4885
US-20120157545-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS S100A8, CUTA, S100A4 USP2 1995/4885HSD17B10 2678/4885LMNA 2387/4885

“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.