SCHEMBL2924501

SCHEMBL2924501

COC(=O)c1cc2cc(SC)cnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 5/20 0.39
HDAC4 P56524 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC9 Q9UKV0 5/20 0.39
HDAC5 Q9UQL6 5/20 0.39
NOD2 Q9HC29 4/20 0.39
NOD1 Q9Y239 4/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 2/20 0.36
TSHR P16473 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
SCHEMBL2927020 0.85 PTGS2 (0.42) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL2926552 0.81 HDAC3 (0.50) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL23148046 0.80 NOD1 (0.48) ALDH1A1LMNANOD2NOD1TSHR
SCHEMBL1960830 0.78 HDAC3 (0.41) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL2926095 0.78 HPGD (0.40) MAPTALDH1A1LMNANOD1RAB9A
SCHEMBL23147752 0.76 NOD2 (0.47) MAPTLMNANOD2NOD1MEN1
SCHEMBL2926540 0.76 HPGD (0.41) MAPTALDH1A1LMNARAB9ATSHR
SCHEMBL23970968 0.76 NOD2 (0.42) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL1961745 0.75 NAMPT (0.37) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL24850176 0.75 NOD2 (0.41) MAPTALDH1A1LMNAHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086950-B1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-09-29 EP disclosed
US-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed
US-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-23 US disclosed
US-6875770-B2 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-04-05 US disclosed
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-08 US disclosed
US-6673797-B1 CYCLOOXYGENASE-2 INHIBITORS; TREATING INFLAMMATORY DISEASE INDUCED BY CYCLOOXYGENASE-2 CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-06 US disclosed
EP-1086950-A1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-28 EP 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 (2 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-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative PTGS2, IDO2, IDO1 MAPT 4741/4885ALDH1A1 228/4885LMNA 4595/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 MAPT 4724/4885ALDH1A1 176/4885LMNA 4535/4885

“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.