SCHEMBL4324788

SCHEMBL4324788

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)CC(F)(F)C(F)F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP2 P11137 13/20 0.48
▸ SIRT1 Q96EB6 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL4314066 0.83 MAP2 (0.49) MAP2SIRT1KDM4EALDH1A1
SCHEMBL4310084 0.81 MAP2 (0.47) MAP2SIRT1KDM4EALDH1A1
SCHEMBL4312754 0.80 MAP2 (0.46) MAP2SIRT1KDM4EALDH1A1
SCHEMBL2347447 0.78 MAP2 (0.59) MAP2SIRT1
SCHEMBL4315896 0.77 MAP2 (0.48) MAP2SIRT1
SCHEMBL4317335 0.77 MAP2 (0.50) MAP2SIRT1
SCHEMBL2352924 0.75 MAP2 (0.51) MAP2SIRT1KDM4EALDH1A1
SCHEMBL4319804 0.75 MAP2 (0.48) MAP2SIRT1
SCHEMBL8938304 0.74 MAP2 (0.59) MAP2
SCHEMBL4319380 0.74 MAP2 (0.47) MAP2SIRT1

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-20090131494-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2009-05-21 — — US claimed
EP-1915055-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-30 — — EP claimed
WO-2007021629-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-22 — — WO claimed

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-20090131494-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT MAP2 1220/4885SIRT1 699/4885KDM4E 537/4885

“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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