SCHEMBL5576741

SCHEMBL5576741

COc1cc(CC2SC(=O)NC2=O)cc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.65
CISD1 Q9NZ45 2/20 0.65
MAOB P27338 1/20 0.61
CA2 P00918 1/20 0.60
PPARG P37231 5/20 0.55
MPC2 O95563 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2C9 P11712 1/20 0.55
PTPN1 P18031 2/20 0.54
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FFAR1 O14842 4/20 0.51
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
PPARA Q07869 2/20 0.49
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL1247602 0.85 PPARG (0.66) MAOACISD1MAOBCA2PPARG
SCHEMBL11161463 0.85 MAOA (0.61) MAOACISD1MAOBCA2PPARG
SCHEMBL3840336 0.84 FFAR1 (0.65) MAOACISD1CA2PPARGMPC2
SCHEMBL11168133 0.82 PTPN1 (0.65) MAOACISD1MAOBCA2PPARG
SCHEMBL13846731 0.81 CA2 (0.64) MAOACISD1MAOBCA2PPARG
SCHEMBL8172479 0.81 MAOA (0.65) MAOACISD1MAOBCA2PPARG
SCHEMBL6930322 0.80 PPARG (0.82) CA2PPARGMPC2CYP2C8CYP2C9
SCHEMBL6373150 0.79 ALDH1A1 (0.57) MAOACISD1MAOBCA2PPARG
SCHEMBL13347287 0.79 PPARG (0.69) MAOACISD1CA2PPARGMPC2
SCHEMBL5052419 0.79 PPARG (0.69) MAOACISD1CA2PPARGMPC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4376777-A Thiazolidine derivatives use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-03-15 US claimed
US-7202366-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2007-04-10 US disclosed
US-7202366-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2007-04-10 US disclosed
US-7202366-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2007-04-10 US disclosed
US-7105552-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2006-09-12 US disclosed
US-20040186299-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. 2004-09-23 US disclosed
EP-1360178-A2 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS Calyx Therapeutics, Inc. (US) 2003-11-12 EP disclosed
US-20020032225-A1 Novel heterocyclic analogs of diphenylethylene compounds SEED, BRIAN 2002-03-14 US disclosed
WO-2001095859-A2 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS CALYX THERAPEUTICS, INC. (US) 2001-12-20 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 (2 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-20040186299-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, GPR119, FFAR4 MAOA 3749/4885CISD1 2383/4885MAOB 2602/4885
US-20020032225-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, GPR119, FFAR4 MAOA 3749/4885CISD1 2383/4885MAOB 2602/4885

“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.