SCHEMBL6834847

SCHEMBL6834847

COc1ccc(C(=O)N(C)C(C)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.52
▸ CES1 P23141 2/20 0.52
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ PARP1 P09874 1/20 0.48
▸ PARP10 Q53GL7 1/20 0.48
▸ PARP2 Q9UGN5 1/20 0.48
▸ PARP4 Q9UKK3 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRL1 P41146 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HSD17B1 P14061 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL13412202 0.87 CES2 (0.53) CES2CES1CA1CA2HPGD
SCHEMBL6831412 0.81 CES2 (0.50) CES2CES1CA1CA2HPGD
SCHEMBL1659309 0.79 HPGD (0.73) CES2CES1CA1CA2HPGD
SCHEMBL11212295 0.79 CES2 (0.61) CES2CES1CA1CA2HPGD
SCHEMBL3298583 0.78 CES2 (0.55) CES2CES1CA1CA2HPGD
SCHEMBL6831416 0.77 NOD2 (0.48) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL30527863 0.77 CES2 (0.64) CES2CES1CA1CA2HPGD
SCHEMBL286256 0.76 CES2 (0.57) CES2CES1CA1CA2HPGD
SCHEMBL10049412 0.76 CA1 (0.59) CES2CES1CA1CA2HPGD
SCHEMBL5858910 0.75 HPGD (0.62) CES2CES1CA1CA2HPGD

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-20040082774-A1 Novel phosphate and thiophosphate protecting groups ISIS PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-6610837-B1 Preparation of an oligonucleotide compound of given formula by reacting with given compounds, followed by oxidation or sulfurization ISIS PHARMACEUTICALS, INC. 2003-08-26 — — US disclosed
US-6121437-A SYNTHESIS OF OLIGONUCLEOTIDES USING OLIGONUCLEOTIDES OR NUCLEOTIDES WITH PROTECTED INTERNUCLEOSIDIC PHOSPHORUS FUNCTIONALITIES WHICH CAN BE REMOVED UNDER MILD CONDITIONS AND PRODUCE NONTOXIC BY-PRODUCTS ISIS PHARMACEUTICALS, INC. (US) 2000-09-19 — — 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-20040082774-A1 Novel phosphate and thiophosphate protecting groups TYMP, MTAP, PPIP5K2 CES2 3825/4885CES1 3293/4885CA1 2225/4885

“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.

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