SCHEMBL6544735

SCHEMBL6544735

[NH]C(=O)Cc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MAPK8 P45983 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
MAOB P27338 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
RIPK1 Q13546 2/20 0.43
P2RX7 Q99572 4/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 0.40
DAO P14920 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
SCHEMBL1288294 0.83 IDO1 (0.48) IDO1AGXTMAPK8CES2CES1
SCHEMBL29459931 0.82 TSHR (0.53) IDO1AGXTMAPK8CES2CES1
SCHEMBL503325 0.82 TSHR (0.53) IDO1AGXTMAPK8CES2CES1
Bromide SCHEMBL8397120 0.80 TSHR (0.51) IDO1AGXTMAPK8CES2CES1
SCHEMBL16257133 0.80 IDO1 (0.46) IDO1AGXTMAPK8CES2CES1
SCHEMBL1115269 0.80 MAPK8 (0.52) IDO1AGXTMAPK8CES2CES1
SCHEMBL835045 0.80 IDO1 (0.46) IDO1AGXTMAPK8CES2CES1
SCHEMBL31078296 0.80 IDO1 (0.46) IDO1AGXTMAPK8CES2CES1
SCHEMBL1699443 0.80 MAOB (0.51) IDO1AGXTMAPK8CES2CES1
SCHEMBL30148003 0.80 MAPK8 (0.52) IDO1AGXTMAPK8CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 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 (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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 IDO1 562/4885AGXT 2951/4885MAPK8 3260/4885

“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.