SCHEMBL13347288

SCHEMBL13347288

COc1ccc(-c2cccc(Oc3ccc(CC4SC(=O)NC4=O)cc3)c2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.59
CYP2C8 P10632 2/20 0.59
CYP2C9 P11712 2/20 0.59
MPC2 O95563 1/20 0.59
CA2 P00918 2/20 0.58
FFAR1 O14842 7/20 0.54
PTPN1 P18031 2/20 0.48
PPARA Q07869 3/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP4B1 P13584 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP3A5 P20815 1/20 0.47
CYP2A7 P20853 1/20 0.47
CYP3A7 P24462 1/20 0.47
CYP2F1 P24903 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 0.88 PPARG (0.60) PPARGCYP2C8CYP2C9MPC2CA2
SCHEMBL3797980 0.88 FFAR1 (0.61) PPARGCYP2C8CYP2C9MPC2CA2
SCHEMBL8313625 0.82 FFAR1 (0.61) PPARGCYP2C8CYP2C9MPC2FFAR1
SCHEMBL5905550 0.80 FFAR1 (0.59) PPARGCYP2C8CYP2C9MPC2FFAR1
SCHEMBL12631758 0.79 PPARG (0.59) PPARGCYP2C8CYP2C9MPC2CA2
SCHEMBL1247602 0.78 PPARG (0.66) PPARGCYP2C8CYP2C9MPC2CA2
SCHEMBL3840336 0.78 FFAR1 (0.65) PPARGCYP2C8CYP2C9MPC2CA2
SCHEMBL8312939 0.78 MAPT (0.69) PPARGCYP2C8CYP2C9MPC2FFAR1
SCHEMBL8314990 0.77 MAPT (0.60) PPARGCYP2C8CYP2C9MPC2FFAR1
SCHEMBL6931105 0.76 PPARG (0.70) PPARGCYP2C8CYP2C9MPC2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 PPARG 10/4885CYP2C8 1831/4885CYP2C9 1567/4885

“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.