SCHEMBL2074713

SCHEMBL2074713

COc1cc(Br)ccc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.60
ALDH1A1 P00352 10/20 0.57
GAA P10253 2/20 0.57
MAPT P10636 7/20 0.53
LMNA P02545 5/20 0.53
HTT P42858 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PKM P14618 3/20 0.51
HPGD P15428 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
APP P05067 1/20 0.51
POLB P06746 2/20 0.49
MAPK1 P28482 2/20 0.49
ALOX12 P18054 1/20 0.49
MCL1 Q07820 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL14220802 0.87 GFER (0.66) GFERALDH1A1GAAMAPTLMNA
SCHEMBL13924691 0.83 GFER (0.61) GFERALDH1A1GAAMAPTLMNA
SCHEMBL2066684 0.83 GFER (0.61) GFERALDH1A1GAAMAPTLMNA
SCHEMBL6938990 0.83 GFER (0.61) GFERALDH1A1GAAMAPTLMNA
SCHEMBL4081388 0.82 GFER (0.60) GFERALDH1A1GAAMAPTLMNA
SCHEMBL17443404 0.82 GFER (0.60) GFERALDH1A1GAAMAPTLMNA
SCHEMBL4076121 0.82 GFER (0.60) GFERALDH1A1GAAMAPTLMNA
SCHEMBL6311175 0.82 GFER (0.64) GFERALDH1A1GAAMAPTLMNA
SCHEMBL31076218 0.82 CYP1A2 (0.51) GFERALDH1A1GAAMAPTLMNA
SCHEMBL3690641 0.82 KMT2A (0.54) GFERALDH1A1GAAMAPTLMNA

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 10 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
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US 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
EP-1828207-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066174-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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 (3 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 GFER 3867/4885ALDH1A1 1473/4885GAA 1600/4885
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R GFER 3668/4885ALDH1A1 668/4885GAA 1552/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R GFER 3701/4885ALDH1A1 1267/4885GAA 1720/4885

“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.