SCHEMBL3660760

SCHEMBL3660760

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 2/20 0.54
PTGER2 P43116 1/20 0.54
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
F10 P00742 1/20 0.46
HTT P42858 3/20 0.46
AHR P35869 1/20 0.46
PKM P14618 1/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3661994 0.91 PTGER2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3050603 0.91 PTGER2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29781323 0.91 PTGER2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29781355 0.89 PTGER2 (0.67) KMT2APTGER2RAB9ANPC1MEN1
SCHEMBL3062083 0.89 PTGER2 (0.67) KMT2APTGER2RAB9ANPC1MEN1
SCHEMBL29372302 0.89 PTGER2 (0.67) KMT2APTGER2RAB9ANPC1MEN1
SCHEMBL3662869 0.89 PTGER2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13757306 0.89 PTGER2 (0.53) KMT2APTGER2RAB9ANPC1MEN1
SCHEMBL3659169 0.88 PTGER2 (0.55) KMT2APTGER2RAB9ANPC1MEN1
SCHEMBL13017411 0.88 PTGER2 (0.52) KMT2APTGER2RAB9ANPC1MEN1

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 6 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
US-20100331410-A1 Biaryl Amides ASTERAND UK LIMITED (GB) 2010-12-30 US disclosed
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
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 ALDH1A1 647/4885CYP1A2 67/4885CYP3A4 515/4885

“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.