SCHEMBL3535869

SCHEMBL3535869

COC(=O)c1cc(C(N)c2ccc(-c3ccccc3)cc2)c(C)o1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.42
NR4A2 P43354 1/20 0.39
HPGD P15428 2/20 0.39
EGFR P00533 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL6189735 0.87 PTGER4 (0.52) PTGER4HPGDPOLBALDH1A1KDM4E
SCHEMBL3534146 0.79 PTGER4 (0.59) PTGER4HPGDMEN1POLBGAA
SCHEMBL3536680 0.77 PTGER4 (0.61) PTGER4HPGDMEN1POLBGAA
SCHEMBL3540317 0.71 PTGER4 (0.47) PTGER4HPGDMEN1POLBKMT2A
SCHEMBL3537345 0.70 PTGER4 (0.79) PTGER4HPGDALDH1A1MAPTKDM4E
SCHEMBL3535870 0.70 PTGER4 (0.65) PTGER4HPGDMEN1KMT2AALDH1A1
SCHEMBL3535954 0.69 MAPT (0.39) HPGDMEN1CYP1A2KMT2AALDH1A1
SCHEMBL25174183 0.68 MAPT (0.58) NR4A2HPGDEGFRMEN1CYP1A2
SCHEMBL29463586 0.68 KDM4E (0.65) NR4A2MEN1CYP1A2POLBGAA
SCHEMBL4119396 0.68 PTGER4 (0.54) PTGER4HPGDCYP1A2GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
EP-1603893-A1 EP4 RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2005-12-14 EP disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 US disclosed
WO-2004067524-A1 EP4 RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2004-08-12 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 (4 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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 PTGER4 1/4885NR4A2 3/4885HPGD 618/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 PTGER4 1/4885NR4A2 7/4885HPGD 621/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 PTGER4 1/4885NR4A2 4/4885HPGD 628/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 PTGER4 1/4885NR4A2 4/4885HPGD 645/4885

“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.