SCHEMBL4196235

SCHEMBL4196235

O=C(O)c1sccc1CCO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPRC P08575 2/20 0.41
AXL P30530 1/20 0.41
LMNA P02545 1/20 0.41
ABCC1 P33527 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
PTPRG P23470 2/20 0.39
GRIK1 P39086 1/20 0.38
GPR35 Q9HC97 1/20 0.38
BCAT2 O15382 1/20 0.38
LTB4R Q15722 1/20 0.36

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
SCHEMBL5323308 0.89 LTB4R (0.41) PTPN1PTPN2PTPRCAXLLMNA
SCHEMBL4371004 0.85 LTB4R (0.44) PTPN1PTPN2PTPRCAXLLMNA
SCHEMBL1401564 0.83 GPR35 (0.44) PTPN1PTPN2PTPRCAXLLMNA
SCHEMBL6632299 0.82 PTPN2 (0.41) PTPN1PTPN2PTPRCAXLLMNA
SCHEMBL10889896 0.82 LMNA (0.47) PTPN1PTPN2PTPRCAXLLMNA
SCHEMBL2232945 0.82 HMGB1 (0.43) PTPN1PTPN2PTPRCAXLLMNA
SCHEMBL27675976 0.79 GPR35 (0.49) AXLLMNAABCC1GPR35LTB4R
SCHEMBL28345653 0.79 TSHR (0.41) PTPN1PTPN2PTPRCAXLLMNA
SCHEMBL2065269 0.79 ABCC1 (0.50) PTPN1PTPN2PTPRCAXLLMNA
SCHEMBL30544 0.78 GPR35 (0.55) ABCC1GPR35LTB4R

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 PTPN1 1033/4885PTPN2 1148/4885PTPRC 1863/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PTPN1 1014/4885PTPN2 1120/4885PTPRC 1846/4885

“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.