SCHEMBL2931092

SCHEMBL2931092

COC(=O)c1cc2nc(S(C)(=O)=O)cnc2n1Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 5/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
PTGS2 P35354 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
CYP2C19 P33261 3/20 0.41
POLB P06746 1/20 0.40
USP2 O75604 2/20 0.39
CYP2C9 P11712 2/20 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
SCHEMBL2926933 0.89 CCR9 (0.41) LMNAHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2921287 0.84 CYP3A4 (0.40) LMNAHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2926815 0.82 TP53 (0.48) MAPTTP53LMNAHPGDSMN1; SMN2
SCHEMBL2929131 0.82 PTGS2 (0.56) MAPTTP53LMNAHPGDSMN1; SMN2
SCHEMBL2921880 0.74 CYP1A2 (0.38) TP53LMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL2925799 0.74 CYP3A4 (0.38) LMNAHPGDSMN1; SMN2ALDH1A1PTGS2
SCHEMBL2929297 0.72 PTGS2 (0.82) MAPTTP53LMNAHPGDSMN1; SMN2
SCHEMBL17684442 0.70 MAPT (0.53) MAPTTP53LMNAHPGDSMN1; SMN2
SCHEMBL2924511 0.66 CNR2 (0.40) MAPTALDH1A1PTGS2L3MBTL1KDM4E
SCHEMBL2100541 0.65 KDM4E (0.55) MAPTTP53LMNAKDM4EPOLB

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 4741/4885TP53 1460/4885LMNA 4595/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 MAPT 4724/4885TP53 2593/4885LMNA 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.