SCHEMBL3540317

SCHEMBL3540317

COC(=O)c1cc(C(S)c2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.47
LMNA P02545 4/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
PDE2A O00408 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD1 P21728 1/20 0.35
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
GFER P55789 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL3541537 0.87 PTGER4 (0.47) PTGER4LMNAKMT2AALDH1A1NPSR1
SCHEMBL3538563 0.80 PTGER4 (0.68) PTGER4
SCHEMBL3535954 0.80 MAPT (0.39) LMNAKMT2AALDH1A1NPSR1TSHR
SCHEMBL3534674 0.76 PTGER4 (0.79) PTGER4LMNAALDH1A1NPSR1TSHR
SCHEMBL3534680 0.75 PTGER4 (0.55) PTGER4LMNAALDH1A1NPSR1TSHR
SCHEMBL3531275 0.75 PTGER4 (0.65) PTGER4LMNAKMT2AALDH1A1NPSR1
SCHEMBL3534678 0.75 PTGER4 (0.60) PTGER4LMNAALDH1A1NPSR1TSHR
SCHEMBL3540319 0.74 PTGER4 (0.56) PTGER4LMNAALDH1A1NPSR1TSHR
SCHEMBL3535869 0.71 PTGER4 (0.42) PTGER4KMT2AALDH1A1MEN1MAPT
SCHEMBL3534763 0.64 PTGER4 (0.71) PTGER4

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 9 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
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 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 (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 1/4885LMNA 2378/4885KMT2A 3371/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 PTGER4 1/4885LMNA 2567/4885KMT2A 2289/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 PTGER4 1/4885LMNA 2524/4885KMT2A 3380/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 PTGER4 1/4885LMNA 2548/4885KMT2A 3406/4885

“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.