SCHEMBL1028261

SCHEMBL1028261

COc1ccc(CNC(=O)c2c(-c3ccco3)c(C)cn2Cc2ccc(F)cc2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
TP53 P04637 1/20 0.45
PPARG P37231 1/20 0.44
KLKB1 P03952 3/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
UBE2I P63279 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1032103 0.87 TAS1R3 (0.43) TAS1R3TAS1R1TP53PPARGKLKB1
SCHEMBL1033084 0.81 KLKB1 (0.43) KLKB1ALDH1A1HPGDUBE2ICACNA1B
SCHEMBL1030344 0.79 SMN1; SMN2 (0.49) ALDH1A1GAAHPGDPOLBNPSR1
SCHEMBL1032062 0.79 SMN1; SMN2 (0.46) TP53KLKB1ALDH1A1HTTGAA
SCHEMBL1030586 0.77 ALDH1A1 (0.41) TP53ALDH1A1HTTGAAHPGD
SCHEMBL1031842 0.77 AKR1B1 (0.42) KLKB1ALDH1A1HPGDPOLBTSHR
SCHEMBL2637910 0.76 TP53 (0.44) TP53ALDH1A1UBE2ICACNA1BAPBA1
SCHEMBL1749648 0.76 ALDH1A1 (0.43) KLKB1ALDH1A1HPGDPOLBTSHR
SCHEMBL1033885 0.75 HTT (0.45) ALDH1A1HTTPKMPOLBMEN1
SCHEMBL1031786 0.75 PPARG (0.47) TAS1R3TAS1R1TP53PPARGKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 TAS1R3 1688/4885TAS1R1 1214/4885TP53 4881/4885

“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.