SCHEMBL4019601

SCHEMBL4019601

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)C1CNCCS1(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP2 P11137 14/20 0.45
▸ SIRT1 Q96EB6 5/20 0.38
▸ PTGS2 P35354 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL4019597 0.90 MAP2 (0.45) MAP2SIRT1PTGS2SIRT2SIRT3
SCHEMBL4018151 0.84 ALDH1A1 (0.48) —
SCHEMBL4312843 0.79 MAP2 (0.53) MAP2SIRT1SIRT2SIRT3
SCHEMBL2351150 0.77 MAP2 (0.45) MAP2SIRT1PTGS2SIRT2SIRT3
SCHEMBL4311159 0.77 MAP2 (0.51) MAP2SIRT1PTGS2SIRT2SIRT3
SCHEMBL4322534 0.77 MAP2 (0.51) MAP2SIRT1SIRT2SIRT3
SCHEMBL4322592 0.76 MAP2 (0.50) MAP2SIRT1PTGS2SIRT2SIRT3
SCHEMBL4018149 0.75 ALDH1A1 (0.48) —
SCHEMBL2346319 0.74 MAP2 (0.46) MAP2SIRT1PTGS2SIRT2SIRT3
SCHEMBL2347447 0.74 MAP2 (0.59) MAP2SIRT1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 — — US disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 — — 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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MAP2 732/4885SIRT1 2309/4885PTGS2 2169/4885

“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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