SCHEMBL9972862

SCHEMBL9972862

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.31
AGTR1 P30556 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9972863 0.89 USP2 (0.52) USP2HSD17B10AGTR1LMNACYP1A2
SCHEMBL17154471 0.84 USP2 (0.47) USP2HSD17B10AGTR1LMNACYP1A2
SCHEMBL13303929 0.83 SLC6A2 (0.37)
SCHEMBL9972859 0.81 USP2 (0.44) USP2HSD17B10AGTR1LMNACYP1A2
SCHEMBL4249632 0.77 USP2 (0.52) USP2HSD17B10AGTR1LMNACYP1A2
SCHEMBL13246149 0.77 USP2 (0.35) USP2
SCHEMBL13246147 0.77 USP2 (0.34) USP2
SCHEMBL15856940 0.76 CNR2 (0.40)
SCHEMBL9972861 0.74 MAPT (0.48) LMNA
SCHEMBL2340252 0.72 USP2 (0.77) USP2CYP1A2

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 2678/4885AGTR1 3862/4885
US-20100152300-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 USP2 1431/4885HSD17B10 4584/4885AGTR1 4593/4885
US-20140187810-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 USP2 1431/4885HSD17B10 4584/4885AGTR1 4593/4885
US-20120157545-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS S100A8, CUTA, S100A4 USP2 1995/4885HSD17B10 2678/4885AGTR1 3862/4885

“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.