SCHEMBL2929374

SCHEMBL2929374

CCOC(=O)c1ccc(-c2cc3cc(SC)cnc3n2S(=O)(=O)c2ccccc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
NOD2 Q9HC29 4/20 0.39
NOD1 Q9Y239 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.37
P2RY12 Q9H244 3/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GBA1 P04062 1/20 0.36
CA12 O43570 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
SCHEMBL2929739 0.88 NPC1 (0.40) NPC1RAB9AALDH1A1NPSR1MAPT
SCHEMBL2930203 0.79 NOD2 (0.46) NPC1RAB9AALDH1A1NPSR1MAPT
SCHEMBL2928170 0.79 HTR6 (0.43) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2926540 0.76 HPGD (0.41) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2928077 0.74 ALDH1A1 (0.36) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2924501 0.74 MAPT (0.42) NPC1RAB9AALDH1A1MAPTNOD2
SCHEMBL2928089 0.71 ALDH1A1 (0.51) ALDH1A1MAPTALOX15SMN1; SMN2MEN1
SCHEMBL2928711 0.70 ALDH1A1 (0.38) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL14802295 0.70 NOD2 (0.61) NPC1RAB9AALDH1A1NPSR1NOD2
SCHEMBL2926095 0.70 HPGD (0.40) NPC1RAB9AALDH1A1MAPTNOD1

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 NPC1 3197/4885RAB9A 3263/4885ALDH1A1 228/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 NPC1 2385/4885RAB9A 2527/4885ALDH1A1 176/4885

“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.