SCHEMBL3611987

SCHEMBL3611987

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCC(F)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 13/20 0.47
SIRT1 Q96EB6 6/20 0.41
SIRT2 Q8IXJ6 3/20 0.40
SIRT3 Q9NTG7 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3617971 0.94 MAP2 (0.46) MAP2SIRT1SIRT2SIRT3KDM4E
SCHEMBL3616596 0.89 MAP2 (0.46) MAP2SIRT1SIRT2SIRT3
SCHEMBL2928734 0.89 MAP2 (0.51) MAP2SIRT1SIRT2SIRT3TSHR
SCHEMBL2927238 0.89 MAP2 (0.54) MAP2TSHR
SCHEMBL2927126 0.88 MAP2 (0.59) MAP2KDM4EHSD17B10
SCHEMBL2924539 0.87 MAP2 (0.53) MAP2TSHR
SCHEMBL3609347 0.87 SIRT1 (0.40) SIRT1KDM4ETSHR
SCHEMBL2923342 0.86 PTGS2 (0.49) MAP2
SCHEMBL2923480 0.85 MAP2 (0.48) MAP2SIRT1
SCHEMBL2926071 0.84 MAP2 (0.47) MAP2SIRT1KDM4ETSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US claimed
EP-1899340-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO claimed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT MAP2 2470/4885SIRT1 745/4885SIRT2 1163/4885

“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.