SCHEMBL2294089

SCHEMBL2294089

[2H]C([2H])C([2H])(C(=O)OC(OC(=O)Oc1ccc(S(C)(=O)=O)cc1)C(C)C)C([2H])([2H])[2H]

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
MMP2 P08253 3/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ELANE P08246 1/20 0.30
ADAMTS4 O75173 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
SCHEMBL2288260 0.84 PTGS2 (0.45) PTGS2MMP2MMP9MMP14CYP11B1
SCHEMBL3274519 0.72 PTGS2 (0.40) PTGS2MMP2MMP9MMP14CYP11B1
SCHEMBL2294327 0.71 PTGS2 (0.44) PTGS2MMP2MMP9MMP14CYP11B1
SCHEMBL16645128 0.70 CA2 (0.51) MAPTELANEADAMTS4
SCHEMBL16703079 0.69 PTGS2 (0.48) PTGS2MMP2MMP9MMP14CYP11B1
SCHEMBL2286233 0.68 ELANE (0.34) AKR1C3AKR1C2POLBMAPTELANE
SCHEMBL3234259 0.68 MMP2 (0.42) PTGS2MMP2MMP9MMP14CYP11B1
SCHEMBL16702992 0.67 CA2 (0.50) PTGS2MMP2MMP9MMP14CYP11B1
SCHEMBL15967677 0.67 ELANE (0.44) ELANE
SCHEMBL16702991 0.67 PTGS2 (0.43) PTGS2MMP2MMP9MMP14CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299291-B2 Methods of synthesizing 1-(acyloxy)-alkyl carbamate prodrugs XENOPORT, INC. (US) 2012-10-30 US disclosed
US-7989641-B2 Methods of synthesizing N-hydroxysuccinimidyl carbonates XENOPORT, INC. (US) 2011-08-02 US disclosed
US-20100087667-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2010-04-08 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 (1 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-20100087667-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS CPS1, ASNS, NAAA PTGS2 1669/4885MMP2 1502/4885MMP9 2287/4885

“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.