SCHEMBL17839012

SCHEMBL17839012

CC1(C)OB(c2cc(F)c3cccnc3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.40
LIPG Q9Y5X9 7/20 0.40
EGFR P00533 3/20 0.38
PTGER3 P43115 1/20 0.36
ROCK1 Q13464 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 2/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MPI P34949 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL17839004 0.84 CYP1A2 (0.40) LPLLIPGEGFRPTGER3MAPT
SCHEMBL18572048 0.83 EGFR (0.40) LPLLIPGEGFRPTGER3MAPT
SCHEMBL26556057 0.81 SYK (0.51) LPLLIPGEGFRLMNASYK
SCHEMBL18259410 0.79 MAPT (0.34) LPLLIPGEGFRPTGER3MAPT
SCHEMBL3306133 0.78 LPL (0.39) LPLLIPGEGFRROCK1IDO1
SCHEMBL17838987 0.77 LPL (0.36) LPLLIPGEGFRMAPTMEN1
SCHEMBL20392597 0.77 LPL (0.41) LPLLIPGEGFRROCK1MAPT
SCHEMBL29502756 0.77 LPL (0.41) LPLLIPGEGFRROCK1MAPT
SCHEMBL15192688 0.76 LPL (0.49) LPLLIPGEGFRROCK1IDO1
SCHEMBL19418901 0.75 MAPT (0.43) LPLLIPGEGFRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237401-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR Pfizer Inc (US) 2017-11-01 EP disclosed
US-9738626-B2 Antagonists of prostaglandin EP3 receptor PFIZER INC. (US) 2017-08-22 US disclosed
WO-2016103097-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2016-06-30 WO disclosed
US-20160176851-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2016-06-23 US 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-20160176851-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PTGER3, PTGES3, PTGER2 LPL 1285/4885LIPG 953/4885EGFR 3153/4885

“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.