SCHEMBL3971766

SCHEMBL3971766

O=C(O)Cc1ccc(NC(=O)c2coc(-c3ccc(OC(F)F)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.49
HPSE Q9Y251 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
FFAR1 O14842 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
NLRP3 Q96P20 1/20 0.43
CYP26A1 O43174 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42

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
SCHEMBL3972236 0.87 SMN1; SMN2 (0.50) ALDH1A1POLBNPC1RAB9AKDM4E
SCHEMBL3968565 0.83 NR1H4 (0.67) NR1H4HPSEALDH1A1POLBKDM4E
SCHEMBL3970052 0.81 ALDH1A1 (0.58) NR1H4HPSEALDH1A1POLBNPC1
SCHEMBL963654 0.74 ATM (0.54) POLBKDM4ENLRP3ATM
SCHEMBL3973956 0.72 SMN1; SMN2 (0.57) NR1H4ALDH1A1POLBNPC1RAB9A
SCHEMBL3972228 0.71 SMN1; SMN2 (0.56) ALDH1A1POLBNPC1RAB9AKDM4E
SCHEMBL27658312 0.71 NR1H4 (0.52) NR1H4ALDH1A1POLBNPC1RAB9A
SCHEMBL30455793 0.71 PGR (0.66) ALDH1A1POLBNPC1RAB9AKDM4E
SCHEMBL3972201 0.70 ALDH1A1 (0.53) HPSEALDH1A1NPC1RAB9AKMT2A
SCHEMBL11739989 0.69 PTGS1 (0.66) NR1H4HPSEALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569602-B2 Furan derivatives as EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-08-04 US disclosed
US-7569602-B2 Furan derivatives as EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-08-04 US disclosed
US-7569602-B2 Furan derivatives as EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-08-04 US disclosed
EP-1673360-B1 FURAN DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-12-17 EP disclosed
EP-1673360-B1 FURAN DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-12-17 EP disclosed
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2008-12-11 US disclosed
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2008-12-11 US disclosed
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2008-12-11 US disclosed
US-7417068-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-08-26 US disclosed
US-7417068-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-08-26 US disclosed
US-7417068-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-08-26 US disclosed
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2007-06-14 US disclosed
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2007-06-14 US disclosed
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2007-06-14 US disclosed
EP-1673360-A1 FURAN DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2006-06-28 EP disclosed
US-20050124676-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2005-06-09 US disclosed
WO-2005037812-A1 FURAN DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2005-04-28 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 (3 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-20050124676-A1 EP4 receptor antagonists PTGER4, PTGER3, NR4A3 NR1H4 231/4885HPSE 4153/4885ALDH1A1 2257/4885
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER3, NR4A3 NR1H4 231/4885HPSE 4153/4885ALDH1A1 2257/4885
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists PTGER4, PTGER3, NR4A3 NR1H4 322/4885HPSE 4046/4885ALDH1A1 2241/4885

“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.