SCHEMBL1843409

SCHEMBL1843409

COC(=O)c1cc2scc(Br)c2n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
TP53 P04637 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 1/20 0.48
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR9 P51686 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1841919 0.86 CCR9 (0.49) CCR9
SCHEMBL26784830 0.83 MAPT (0.56) MAPTTP53L3MBTL1TSHRTHRB
SCHEMBL27147250 0.83 MAPT (0.48) MAPTTP53L3MBTL1TSHRTHRB
SCHEMBL32684910 0.83 MAPT (0.46) MAPTTP53L3MBTL1TSHRTHRB
SCHEMBL1843195 0.83 MAPT (0.47) MAPTTP53L3MBTL1TSHRTHRB
SCHEMBL4095896 0.80 TSHR (0.44) MAPTTP53L3MBTL1TSHRKDM4E
SCHEMBL26785008 0.78 MAPT (0.44) MAPTTP53L3MBTL1TSHRTHRB
SCHEMBL17684894 0.74 KDM4E (0.46) MAPTTP53L3MBTL1KDM4EGAA
SCHEMBL1842830 0.71 KDM4E (0.49) KDM4EMAPK8MAPK10ALDH1A1SMN1; SMN2
SCHEMBL1843742 0.70 CCR9 (0.47) KDM4EALDH1A1CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
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-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
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 (2 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-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF PTGER1, PTGIR, PTGDR2 MAPT 4846/4885TP53 4617/4885L3MBTL1 4875/4885
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists PTGER4, PTGER1, PTGER2 MAPT 4751/4885TP53 4300/4885L3MBTL1 4787/4885

“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.