SCHEMBL5863125

SCHEMBL5863125

O=C(O)c1ccccc1-c1cccc(CSCCOc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
PTPN11 Q06124 4/20 0.45
ALDH1A1 P00352 1/20 0.44
BRS3 P32247 1/20 0.42
RAB9A P51151 1/20 0.41
PTGER4 P35408 4/20 0.41
PTGER3 P43115 4/20 0.41
PTGER1 P34995 3/20 0.41
PTGER2 P43116 3/20 0.41
NR4A2 P43354 1/20 0.41
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL5863103 0.87 SMN1; SMN2 (0.45) PTPN11ALDH1A1RAB9A
SCHEMBL5863286 0.86 PTGER1 (0.47) ALDH1A1BRS3PTGER4PTGER3PTGER1
SCHEMBL5863189 0.83 NR4A2 (0.57) ALDH1A1PTGER1NR4A2PKM
SCHEMBL5863160 0.82 NR4A2 (0.53) NR4A2PKMFFAR1FFAR4
Hydrochloric Acid SCHEMBL5863297 0.81 KDM4E (0.41) ALDH1A1RAB9APKM
SCHEMBL5863455 0.80 MCHR1 (0.42) ALDH1A1
SCHEMBL5864900 0.80 DRD3 (0.42) ALDH1A1
SCHEMBL5863144 0.79 ALDH1A1 (0.49) PTPN11ALDH1A1RAB9APTGER4PTGER3
SCHEMBL5863212 0.76 PTGER1 (0.49) PTPN11RAB9APTGER4PTGER3PTGER1
SCHEMBL7743316 0.76 MRGPRX4 (0.60) CYP4F2CYP4A11PTGER1NR4A2

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 CYP4F2 3158/4885CYP4A11 1583/4885PTPN11 1338/4885

“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.