SCHEMBL4207906

SCHEMBL4207906

O=C1SC(=Cc2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1CCO

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.59
HPGD P15428 1/20 0.58
MAPK1 P28482 3/20 0.55
ENPP2 Q13822 3/20 0.54
PIM1 P11309 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PTPRF P10586 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPRB P23467 1/20 0.53
ACP1 P24666 1/20 0.53
CA9 Q16790 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL4207901 1.00 AKR1B1 (0.59) AKR1B1HPGDMAPK1ENPP2PIM1
SCHEMBL4209066 0.85 MAPK1 (0.55) AKR1B1MAPK1ENPP2PIM1MAOA
SCHEMBL4209071 0.85 MAPK1 (0.55) AKR1B1MAPK1ENPP2PIM1MAOA
SCHEMBL15817009 0.81 MAPK1 (0.78) HPGDMAPK1MAOAMAOBCA9
SCHEMBL15817005 0.81 MAPK1 (0.78) HPGDMAPK1MAOAMAOBCA9
SCHEMBL15817003 0.81 MAPK1 (0.78) HPGDMAPK1MAOAMAOBCA9
SCHEMBL4215334 0.81 KDM4E (0.55) AKR1B1MAPK1ENPP2PIM1CA9
SCHEMBL4828044 0.81 KDM4E (0.55) AKR1B1MAPK1ENPP2PIM1CA9
SCHEMBL20534357 0.76 AKR1B1 (0.78) AKR1B1PTPN1CA9
SCHEMBL20534356 0.76 AKR1B1 (0.78) AKR1B1PTPN1CA9

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
EP-1501509-A4 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2009-07-15 EP disclosed
US-7348348-B2 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK & CO. INC. (US) 2008-03-25 US disclosed
US-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK SHARP & DOHME CORP. 2005-07-28 US disclosed
EP-1501509-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2004024061-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-03-25 WO 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-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers KCNN1, KCNH1, KCNN2 AKR1B1 1549/4885HPGD 2151/4885MAPK1 1281/4885

“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.