SCHEMBL1845684

SCHEMBL1845684

COC(=O)c1c(C)sc2ccn(Cc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.42
CISD2 Q8N5K1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNQ4 P56696 2/20 0.40
KCNQ5 Q9NR82 2/20 0.40
PTGER4 P35408 3/20 0.39
PTGDR Q13258 3/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPT P10636 1/20 0.38
TLR2 O60603 1/20 0.37
KMT2A Q03164 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGFR P43088 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37

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
SCHEMBL1842802 0.87 PTGER4 (0.43) KDM4EALDH1A1SMN1; SMN2KCNQ3KCNQ2
SCHEMBL26908087 0.85 HSP90B1 (0.34) ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1842830 0.80 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2KCNQ3KCNQ2
SCHEMBL12549925 0.79 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2KCNQ3KCNQ2
SCHEMBL25366601 0.79 BACE1 (0.38) ALDH1A1SMN1; SMN2MAPTPTGER3
SCHEMBL30557730 0.79 BACE1 (0.38) ALDH1A1SMN1; SMN2MAPTPTGER3
SCHEMBL32684712 0.79 PTGER4 (0.40) KDM4EALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL1847633 0.78 PTGER4 (0.47) PTGER4PTGDRMAPTTBXA2RPTGER1
SCHEMBL32684965 0.78 PTGER4 (0.40) KDM4EALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL1842923 0.77 KCNQ3 (0.38) KDM4EALDH1A1SMN1; SMN2KCNQ3KCNQ2

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
EP-2320906-B1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS BETA PHARMA CANADA INC (CA) 2016-02-24 EP disclosed
EP-2320906-B1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS BETA PHARMA CANADA INC (CA) 2016-02-24 EP disclosed
US-8404736-B2 Heterocyclic amide derivatives as EP4 receptor antagonists BETA PHARMA CANADA INC. (CA) 2013-03-26 US disclosed
US-8404736-B2 Heterocyclic amide derivatives as EP4 receptor antagonists BETA PHARMA CANADA INC. (CA) 2013-03-26 US disclosed
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists BETA PHARMA CANADA INC. (CA) 2011-06-09 US disclosed
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists BETA PHARMA CANADA INC. (CA) 2011-06-09 US disclosed
EP-2320906-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Beta Pharma Canada Inc. (CA) 2011-05-18 EP disclosed
WO-2010019796-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2010-02-18 WO disclosed
WO-2010019796-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2010-02-18 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-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists PTGER4, PTGER1, PTGER2 KDM4E 1395/4885ALDH1A1 997/4885CISD2 2674/4885

“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.