SCHEMBL2876719

SCHEMBL2876719

O=Cc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)CC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ LMNA P02545 4/20 0.37
▸ AHR P35869 1/20 0.36
▸ SIRT1 Q96EB6 9/20 0.36
▸ SIRT2 Q8IXJ6 3/20 0.36
▸ SIRT3 Q9NTG7 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34

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
SCHEMBL2882120 0.82 SIRT1 (0.38) ALOX15SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4319804 0.80 MAP2 (0.48) ALOX15SMN1; SMN2MAPTSIRT1SIRT2
SCHEMBL4319380 0.77 MAP2 (0.47) ALOX15SMN1; SMN2MAPTSIRT1SIRT2
SCHEMBL4313647 0.76 ALDH1A1 (0.53) ALOX15SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2882093 0.75 OPRM1 (0.36) ALOX15SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4317335 0.75 MAP2 (0.50) SIRT1SIRT2SIRT3
SCHEMBL4310041 0.73 ALDH1A1 (0.52) ALOX15SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4317805 0.71 ALDH1A1 (0.54) ALOX15SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28437263 0.69 LMNA (0.51) ALOX15SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27856107 0.68 LMNA (0.36) SMN1; SMN2MAPTMEN1KMT2ALMNA

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 ALOX15 2532/4885SMN1; SMN2 2354/4885MAPT 1253/4885

“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.

Send feedback