SCHEMBL4193049

SCHEMBL4193049

O=C(O)c1sc(I)cc1CCO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR35 Q9HC97 2/20 0.32
MCL1 Q07820 3/20 0.31
BCKDK O14874 1/20 0.31

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
SCHEMBL4294480 0.74 KDM4E (0.33) RXFP1PKMNPSR1
SCHEMBL17026739 0.71
SCHEMBL4971298 0.68 PKM (0.44) RXFP1PKMNPSR1GPR35MCL1
SCHEMBL20894075 0.68 BCKDK (0.40) RXFP1PKMNPSR1GPR35MCL1
SCHEMBL20439913 0.68 DAO (0.42) RXFP1PKMNPSR1GPR35MCL1
SCHEMBL29042027 0.67 GSK3B (0.46) RXFP1PKMNPSR1GPR35MCL1
SCHEMBL4196235 0.65 PTPN1 (0.42) NPSR1GPR35
SCHEMBL23043923 0.65 PTPN1 (0.42)
SCHEMBL29151337 0.65 PTPN1 (0.42)
SCHEMBL29684490 0.63 F2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
CN-101454328-A Novel mch receptor antagonists LILLY CO ELI (US) 2009-06-10 CN disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RXFP1 44/4885PKM 2335/4885NPSR1 40/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RXFP1 39/4885PKM 2499/4885NPSR1 36/4885

“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.