SCHEMBL3535954

SCHEMBL3535954

COC(=O)c1cc(C(S)c2ccc(Br)cc2)c(C)o1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TSHR P16473 4/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 5/20 0.37
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 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
SCHEMBL3540317 0.80 PTGER4 (0.47) MAPTTSHRHPGDALDH1A1HSD17B10
SCHEMBL1198612 0.70 MAPT (0.53) MAPTTSHRHPGDALDH1A1CYP1A2
SCHEMBL3535869 0.69 PTGER4 (0.42) MAPTHPGDALDH1A1CYP1A2KMT2A
SCHEMBL3542470 0.68 PTGER4 (0.47) MAPTTSHRHPGDALDH1A1HSD17B10
SCHEMBL3535955 0.68 HPGD (0.46) MAPTTSHRHPGDALDH1A1HSD17B10
SCHEMBL20188651 0.66 MAPT (0.56) MAPTTSHRTP53HPGDALDH1A1
SCHEMBL29588216 0.64 PIM1 (0.49) MAPTTSHRTP53HPGDALDH1A1
SCHEMBL13903598 0.64 PIM1 (0.49) MAPTTSHRTP53HPGDALDH1A1
SCHEMBL30474801 0.64 PIM1 (0.66) MAPTTSHRTP53ALDH1A1KMT2A
SCHEMBL1066370 0.64 PIM1 (0.66) MAPTTSHRTP53ALDH1A1KMT2A

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 MAPT 4846/4885TSHR 183/4885TP53 4586/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 MAPT 4870/4885TSHR 203/4885TP53 4773/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 MAPT 4856/4885TSHR 185/4885TP53 4529/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 MAPT 4849/4885TSHR 170/4885TP53 4521/4885

“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.