SCHEMBL3203697

SCHEMBL3203697

CCOCCOCC(O)C(CO)OCCOCC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SPHK1 Q9NYA1 1/20 0.35
MGAM O43451 4/20 0.34
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL2882759 0.85 USP2 (0.33) USP2ALDH1A1SPHK1MGAM
SCHEMBL8032603 0.83 USP2 (0.34) USP2SPHK1MGAM
SCHEMBL10380957 0.82 MEN1 (0.44) USP2ALDH1A1TSHRHTT
SCHEMBL7554513 0.82 MEN1 (0.44) USP2ALDH1A1TSHRHTT
SCHEMBL2947569 0.82 MEN1 (0.44) USP2ALDH1A1TSHRHTT
SCHEMBL6899279 0.82 MGAM (0.41) USP2ALDH1A1SPHK1MGAMTSHR
SCHEMBL5189905 0.81 USP2 (0.44) USP2ALDH1A1SPHK1MGAMTSHR
SCHEMBL9227814 0.81 USP2 (0.44) USP2SPHK1MGAMHSD17B10TDP1
SCHEMBL28724981 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1TSHR
SCHEMBL10990567 0.79 USP2 (0.55) USP2ALDH1A1SPHK1MGAMTSHR

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
EP-3494960-B1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME HELSINN HEALTHCARE SA (CH) 2020-11-25 EP disclosed
EP-3494960-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME Helsinn Healthcare SA (CH) 2019-06-12 EP disclosed
US-20140142193-A1 Stabilized Compositions Of Alkylating Agents And Methods Of Using Same ACTELION PHARMACEUTICALS, LTD. (CH) 2014-05-22 US disclosed
US-8501817-B2 Stabilized compositions of alkylating agents and methods of using same CEPTARIS THERAPEUTICS, INC. (US) 2013-08-06 US disclosed
US-20100029783-A9 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME HELSINN HEALTHCARE SA (CH) 2010-02-04 US disclosed
US-20090247645-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME HELSINN BIREX PHARMACEUTICALS LIMITED (IE) 2009-10-01 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 (3 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-20090247645-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, ETV6, POLH USP2 2427/4885ALDH1A1 4081/4885SPHK1 549/4885
US-20140142193-A1 Stabilized Compositions Of Alkylating Agents And Methods Of Using Same MGMT, ETV6, POLH USP2 2427/4885ALDH1A1 4081/4885SPHK1 549/4885
US-20100029783-A9 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, ETV6, POLH USP2 2427/4885ALDH1A1 4081/4885SPHK1 549/4885

“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.