SCHEMBL3662871

SCHEMBL3662871

O=C(COc1cccc(NC(=O)c2cc(-c3cccc(F)c3)ccc2F)c1)OOCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 1/20 0.50
BCL9 O00512 4/20 0.44
CTNNB1 P35222 4/20 0.44
MAPT P10636 4/20 0.43
F10 P00742 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 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
SCHEMBL3662869 0.92 PTGER2 (0.52) PTGER2BCL9CTNNB1MAPTF10
SCHEMBL3660760 0.87 ALDH1A1 (0.55) PTGER2MAPTF10LMNASMN1; SMN2
SCHEMBL13190035 0.86 PTGER2 (0.49) PTGER2BCL9CTNNB1MAPTF10
SCHEMBL29781355 0.85 PTGER2 (0.67) PTGER2MAPTF10LMNASMN1; SMN2
SCHEMBL3062083 0.85 PTGER2 (0.67) PTGER2MAPTF10LMNASMN1; SMN2
SCHEMBL29372302 0.85 PTGER2 (0.67) PTGER2MAPTF10LMNASMN1; SMN2
SCHEMBL13063092 0.85 PTGER2 (0.50) PTGER2BCL9CTNNB1MAPTF10
SCHEMBL3050603 0.85 PTGER2 (0.52) PTGER2MAPTF10LMNASMN1; SMN2
SCHEMBL29781323 0.85 PTGER2 (0.52) PTGER2MAPTF10LMNASMN1; SMN2
SCHEMBL3661994 0.85 PTGER2 (0.52) PTGER2MAPTF10LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331410-A1 Biaryl Amides ASTERAND UK LIMITED (GB) 2010-12-30 US disclosed
EP-2238101-A2 DIFLUOROBIPHENYLAMIDE DERIVATIVES FOR THE TREATMENT OF OCULAR HYPERTENSION ASTERAND UK LIMITED (GB) 2010-10-13 EP disclosed
WO-2009098458-A2 BIARYL AMIDES ASTERAND UK LIMITED (GB) 2009-08-13 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-20100331410-A1 Biaryl Amides AGTR2, CYP11B2, ALDH1A2 PTGER2 242/4885BCL9 3005/4885CTNNB1 2865/4885

“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.