SCHEMBL9972859

SCHEMBL9972859

CN(CCCl)CCOCC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 4/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.31
AGTR1 P30556 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
DUSP3 P51452 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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 0.91 USP2 (0.52) USP2LMNAHTTHSD17B10AGTR1
SCHEMBL15119548 0.86 MAPT (0.43) USP2MAPTLMNATP53TSHR
SCHEMBL17154471 0.85 USP2 (0.47) USP2MAPTLMNAHTTHSD17B10
SCHEMBL9972873 0.81 HSD17B10 (0.47) MAPTLMNATP53TSHRHTT
SCHEMBL9972862 0.81 USP2 (0.43) USP2LMNAHSD17B10AGTR1CYP1A2
SCHEMBL4249632 0.79 USP2 (0.52) USP2MAPTLMNAHTTHSD17B10
SCHEMBL13303943 0.77 MAPT (0.50) MAPTLMNATP53TSHRHTT
Hydrochloric Acid SCHEMBL9583920 0.76 LMNA (0.52) MAPTLMNATP53TSHRHTT
SCHEMBL18560978 0.73 HSD17B10 (0.41) USP2MAPTLMNAHTTHSD17B10
SCHEMBL24615028 0.72 USP2 (0.58) USP2LMNATSHRHTTHSD17B10

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
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-20130184243-A1 COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF TREATING SKIN DISORDERS THEREWITH CEPTARIS THERAPEUTICS, INC. (US) 2013-07-18 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 (5 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 1995/4885MAPT 1744/4885LMNA 2387/4885
US-20100152300-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 USP2 1431/4885MAPT 2619/4885LMNA 2236/4885
US-20130184243-A1 COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF TREATING SKIN DISORDERS THEREWITH MGMT, UNG, OGG1 USP2 1487/4885MAPT 3685/4885LMNA 2267/4885
US-20140187810-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 USP2 1431/4885MAPT 2619/4885LMNA 2236/4885
US-20120157545-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS S100A8, CUTA, S100A4 USP2 1995/4885MAPT 1744/4885LMNA 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.