SCHEMBL4034369

SCHEMBL4034369

O=C1NC(=O)C(Cc2ccc(Oc3ccc(F)cc3)cc2)S1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
FFAR1 O14842 5/20 0.59
PPARA Q07869 2/20 0.59
PPARG P37231 11/20 0.55
CYP3A4 P08684 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
RXRA P19793 1/20 0.53
MPC2 O95563 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL8312939 0.93 MAPT (0.69) MAPTFFAR1PPARAPPARGCYP3A4
SCHEMBL5576600 0.91 MAPT (0.71) MAPTFFAR1PPARAPPARGCYP3A4
SCHEMBL12628242 0.88 PPARG (0.63) MAPTFFAR1PPARAPPARGCYP3A4
SCHEMBL8252079 0.86 PPARG (0.71) MAPTFFAR1PPARAPPARGCYP3A4
SCHEMBL8317057 0.86 PPARG (0.62) MAPTFFAR1PPARAPPARGCYP3A4
SCHEMBL8314990 0.86 MAPT (0.60) MAPTFFAR1PPARAPPARGCYP3A4
SCHEMBL8313625 0.84 FFAR1 (0.61) MAPTFFAR1PPARAPPARGCYP3A4
SCHEMBL525525 0.83 PPARG (0.59) MAPTFFAR1PPARAPPARGCYP3A4
SCHEMBL3794041 0.83 MAPT (0.57) MAPTFFAR1PPARAPPARGCYP3A4
SCHEMBL8315737 0.83 MAPT (0.57) MAPTFFAR1PPARAPPARGCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246470-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2019-04-02 US disclosed
US-10011609-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2018-07-03 US disclosed
US-10011609-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2018-07-03 US disclosed
US-20160257701-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2016-09-08 US disclosed
US-20160257701-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2016-09-08 US disclosed
WO-2015097713-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2015-07-02 WO disclosed
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-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-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 (4 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 MAPT 1734/4885FFAR1 352/4885PPARA 1303/4885
US-10011609-B2 Heterocyclic compounds GPR55, GPR68, GPR65 MAPT 783/4885FFAR1 27/4885PPARA 206/4885
US-10246470-B2 Heterocyclic compounds HAAO, HK1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAPT 4451/4885FFAR1 2831/4885PPARA 1834/4885
US-20160257701-A1 NOVEL HETEROCYCLIC COMPOUNDS GPR55, GPR68, GPR65 MAPT 719/4885FFAR1 23/4885PPARA 211/4885

“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.