SCHEMBL3616596

SCHEMBL3616596

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCCC(F)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 11/20 0.46
KIF11 P52732 1/20 0.40
SIRT1 Q96EB6 6/20 0.39
SIRT2 Q8IXJ6 3/20 0.39
SIRT3 Q9NTG7 2/20 0.39
BTK Q06187 1/20 0.39
POLB P06746 1/20 0.39

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 0.95 MAP2 (0.46) MAP2SIRT1SIRT2SIRT3
SCHEMBL3611987 0.89 MAP2 (0.47) MAP2SIRT1SIRT2SIRT3
SCHEMBL2927238 0.86 MAP2 (0.54) MAP2
SCHEMBL2928734 0.86 MAP2 (0.51) MAP2SIRT1SIRT2SIRT3
SCHEMBL2924539 0.85 MAP2 (0.53) MAP2
SCHEMBL2928134 0.85 MAP2 (0.41) MAP2KIF11SIRT1SIRT2SIRT3
SCHEMBL6767523 0.85 MAP2 (0.41) MAP2SIRT1SIRT2SIRT3
SCHEMBL3614435 0.82 RXFP1 (0.40) SIRT1POLB
SCHEMBL2924228 0.82 ACLY (0.46) MAP2KIF11SIRT1SIRT2POLB
SCHEMBL2925201 0.82 MAP2 (0.49) MAP2SIRT1SIRT2SIRT3

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 2470/4885KIF11 2272/4885SIRT1 745/4885

“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.