SCHEMBL3576166

SCHEMBL3576166

O=S(=O)(CCCF)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.57
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 4/20 0.45
POLB P06746 7/20 0.44
HSD11B1 P28845 1/20 0.44
CA2 P00918 3/20 0.43
CTDSP1 Q9GZU7 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
GRK2 P25098 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
APEX1 P27695 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5387555 0.82 PLCG1 (0.59) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL26201360 0.80 MMP8 (0.61) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL15233236 0.80 ALDH1A1 (0.77) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL27874904 0.80 ALDH1A1 (0.77) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL5104880 0.80 PLCG1 (0.57) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1941210 0.80 CA2 (0.67) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5446197 0.80 PLCG1 (0.57) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL13586189 0.79 PLCG1 (0.61) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1546083 0.79 PSIP1 (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8901619 0.79 PLCG1 (0.67) PLCG1CYP3A4CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666871-B2 3-Methyl-6-(4-{5-methyl-4-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]-oxazol-2-yl}-phenyl)-pyridazine; for treatment of obesity, cognitive deficiencies, narcolepsy ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
EP-1786790-B1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-06-03 EP disclosed
US-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses ELI LILLY AND COMPANY 2007-08-23 US disclosed
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 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-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses HCRTR1, HRH3, HCRTR2 PLCG1 3351/4885ALDH1A1 1633/4885CYP3A4 1651/4885

“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.