SCHEMBL3797980

SCHEMBL3797980

COc1ccc(-c2cccc(Oc3ccc(CC4SC(=O)NC4=O)cc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.61
PPARG P37231 9/20 0.60
MPC2 O95563 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2C9 P11712 1/20 0.60
PPARA Q07869 4/20 0.52
CA2 P00918 1/20 0.51
MAPT P10636 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL3798362 0.94 PPARG (0.60) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL13347288 0.88 PPARG (0.59) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL8313625 0.86 FFAR1 (0.61) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5905550 0.85 FFAR1 (0.59) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL12631758 0.84 PPARG (0.59) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL3840336 0.83 FFAR1 (0.65) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL8312939 0.81 MAPT (0.69) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL13347283 0.81 PPARG (0.62) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL3800704 0.81 PPARG (0.62) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL3800706 0.81 PPARG (0.62) FFAR1PPARGMPC2CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2006-10-19 US claimed
EP-1549625-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS Theracos, Inc. (US) 2005-07-06 EP claimed
WO-2004033438-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS THERACOS, INC. (US) 2004-04-22 WO claimed
US-20030181494-A1 Novel heterocyclic analogs of diphenylethylene compounds SEED, BRIAN 2003-09-25 US claimed
US-7718682-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2010-05-18 US disclosed
US-7718682-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2010-05-18 US disclosed
US-7718682-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2010-05-18 US disclosed
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-11-27 US disclosed
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-11-27 US disclosed
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-11-27 US disclosed
US-7407978-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-08-05 US disclosed
US-7407978-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-08-05 US disclosed
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2006-10-19 US disclosed
EP-1549625-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS Theracos, Inc. (US) 2005-07-06 EP disclosed
WO-2004033438-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS THERACOS, INC. (US) 2004-04-22 WO disclosed
US-20030181494-A1 Novel heterocyclic analogs of diphenylethylene compounds SEED, BRIAN 2003-09-25 US 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 (3 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-20030181494-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 FFAR1 4/4885PPARG 10/4885MPC2 753/4885
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 FFAR1 4/4885PPARG 10/4885MPC2 753/4885
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 FFAR1 4/4885PPARG 10/4885MPC2 753/4885

“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.