SCHEMBL2882120

SCHEMBL2882120

O=S(=O)(CC1CCC1)c1c(CO)[nH]c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 14/20 0.38
▸ SIRT2 Q8IXJ6 4/20 0.37
▸ SIRT3 Q9NTG7 2/20 0.37
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AHR P35869 1/20 0.35

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
SCHEMBL2876719 0.82 ALOX15 (0.40) SIRT1SIRT2SIRT3LMNATP53
SCHEMBL4319804 0.81 MAP2 (0.48) SIRT1SIRT2SIRT3ALOX15SMN1; SMN2
SCHEMBL4319380 0.78 MAP2 (0.47) SIRT1SIRT2SIRT3ALOX15SMN1; SMN2
SCHEMBL4313647 0.77 ALDH1A1 (0.53) LMNATP53ALOX15SMN1; SMN2MEN1
SCHEMBL4317335 0.76 MAP2 (0.50) SIRT1SIRT2SIRT3
SCHEMBL4310041 0.74 ALDH1A1 (0.52) LMNAALOX15SMN1; SMN2MEN1MAPT
SCHEMBL2882093 0.74 OPRM1 (0.36) LMNATP53ALOX15SMN1; SMN2OPRM1
SCHEMBL4317805 0.72 ALDH1A1 (0.54) LMNATP53ALOX15SMN1; SMN2MEN1
SCHEMBL14194790 0.71 SIRT1 (0.45) SIRT1SIRT2LMNAMEN1MAPT
SCHEMBL5729606 0.67 SIRT1 (0.46) SIRT1SIRT2LMNA

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-20100168097-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-01 — — US disclosed
EP-1898928-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 — — EP disclosed
WO-2007002458-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 — — WO 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-20100168097-A1 Non-Nucleoside Reverse Transcriptase Inhibitors RNGTT, POLR1E, RTF1 SIRT1 1501/4885SIRT2 2009/4885SIRT3 1808/4885

“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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