SCHEMBL1799231

SCHEMBL1799231

COC(=O)c1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.49
PGR P06401 3/20 0.49
STS P08842 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PTGS2 P35354 1/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
KAT6A Q92794 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1107697 0.86 GCK (0.57) GCKCA1CA2PTGS2ALDH1A1
SCHEMBL1799919 0.85 SRD5A2 (0.54) GCKPTGS2RAB9AALDH1A1KAT6A
SCHEMBL883130 0.82 TNKS (0.60) PGRCA1CA2RAB9AMAPT
SCHEMBL14018389 0.82 PGR (0.60) PGRPTGS2ALDH1A1SMN1; SMN2
SCHEMBL2651155 0.80 POLB (0.61) CA1CA2PTGS2ALDH1A1GAA
SCHEMBL14018981 0.80 NR1H2 (0.55) GCKPGRPTGS2LMNAKAT6A
SCHEMBL2345466 0.79 CA12 (0.59) CA1CA2PTGS2LMNAPOLB
SCHEMBL31610890 0.79 CA12 (0.59) CA1CA2PTGS2LMNAPOLB
SCHEMBL8569015 0.79 CA1 (0.55) CA1CA2RAB9AMAPTALDH1A1
SCHEMBL27480274 0.79 HSD17B1 (0.59) CA1CA2RAB9AMAPTALDH1A1

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-7951826-B2 Obesity; cognition activators; narcolepsy ELI LILLY AND COMPANY (US) 2011-05-31 US disclosed
EP-1861360-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-02 EP disclosed
US-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1861360-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-05 EP disclosed
WO-2006101808-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-09-28 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-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists HRH3, HCRTR1, HRH4 GCK 1641/4885PGR 908/4885STS 3418/4885

“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.