SCHEMBL5863071

SCHEMBL5863071

O=C(O)c1ccc(-c2ccccc2CSCCOc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
FOLH1 Q04609 1/20 0.44
GAA P10253 1/20 0.43
RARB P10826 5/20 0.43
NR4A2 P43354 2/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
MAP4K4 O95819 1/20 0.42
ALDH1A1 P00352 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
RECQL P46063 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
PARP10 Q53GL7 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
SCHEMBL5863212 0.86 PTGER1 (0.49) PKMPTGER1PTGER4PTGER3PTGER2
SCHEMBL5863074 0.86 MAPT (0.50) ALDH1A1FFAR4
SCHEMBL6253221 0.85 FOLH1 (0.50) PKMPTGER1PTGER4PTGER3PTGER2
SCHEMBL5863142 0.83 PKM (0.58) PKMGAARARBNR4A2RXRA
SCHEMBL5863144 0.82 ALDH1A1 (0.49) PKMPTGER1PTGER4PTGER3PTGER2
SCHEMBL5863083 0.81 ALDH1A1 (0.50) ALDH1A1
SCHEMBL7776759 0.80 PKM (0.61) PKMPTGER1PTGER4PTGER3PTGER2
SCHEMBL5863100 0.79 FYN (0.46) ALDH1A1
SCHEMBL5863072 0.78 NPC1 (0.45) ALDH1A1
SCHEMBL5863160 0.78 NR4A2 (0.53) PKMRARBNR4A2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US claimed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US claimed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP claimed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 WO claimed
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US disclosed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP disclosed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 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-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R PKM 3577/4885PTGER1 845/4885PTGER4 2367/4885

“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.