SCHEMBL5680374

SCHEMBL5680374

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N[C@@H](Cc1ccccc1)C(=O)O)O2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.57
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
CAPN1 P07384 1/20 0.51
ACHE P22303 9/20 0.50
BCHE P06276 8/20 0.50
ITGB1 P05556 4/20 0.47
ITGA4 P13612 4/20 0.47
MAOB P27338 1/20 0.47
ALOX5 P09917 1/20 0.45

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
SCHEMBL5680377 1.00 PPARG (0.57) PPARGPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL5680250 0.86 PTGS1 (0.54) PPARGPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2058864 0.81 PTGS1 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL25276111 0.80 PTGS1 (0.57) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL30463837 0.80 PTGS1 (0.57) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL18736234 0.80 PTGS1 (0.57) PPARGPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9690289 0.78 ACHE (0.63) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL17289294 0.78 PTGS1 (0.57) PPARGPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL30463821 0.78 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9253766 0.78 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233962-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOD CONSEILS RECH APPLIC (FR) 2006-03-01 EP claimed
US-20040180936-A1 Heterocyclic compounds and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIEQUES (S.C.R.A.S.) 2004-09-16 US claimed
EP-1233962-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-28 EP claimed
WO-2001032654-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 WO claimed
EP-1661564-A1 Heterocyclic compounds and their pharmaceutical use Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-05-31 EP disclosed
EP-1233962-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOD CONSEILS RECH APPLIC (FR) 2006-03-01 EP disclosed
US-20040180936-A1 Heterocyclic compounds and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIEQUES (S.C.R.A.S.) 2004-09-16 US disclosed
US-6747024-B1 INHIBITING CALPAIN AND/OR REACTIVE OXYGEN SPECIES IN WARM-BLOODED ANIMALS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-06-08 US disclosed
EP-1233962-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-28 EP disclosed
WO-2001032654-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 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-20040180936-A1 Heterocyclic compounds and their use as medicaments CAPN1, CAPN2, CAPNS1 PPARG 2430/4885PTGS1 47/4885PTGS2 118/4885

“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.