SCHEMBL2260734

SCHEMBL2260734

COC(=O)c1cc(-c2ccc(F)cc2)c(=O)n(C(C)C(C)(C)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IKBKB O14920 1/20 0.38
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
PIK3CA P42336 1/20 0.36
PTPN7 P35236 1/20 0.36
ATM Q13315 1/20 0.36
HSD11B1 P28845 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
SCHEMBL2260977 0.88 PTGS1 (0.45) PTGS1SLC6A4SLC6A3MAPK14ALDH1A1
SCHEMBL2259172 0.87 BCL2L1 (0.40) PTGS1MAPK14PTGS2NPC1RAB9A
SCHEMBL2261224 0.85 PTGS1 (0.43) PTGS1SLC6A4SLC6A3MAPK14ALDH1A1
SCHEMBL16672348 0.79 PTGS1 (0.48) PTGS1SLC6A4SLC6A3MAPK14ALDH1A1
SCHEMBL2345048 0.76 PIK3CA (0.36) PTGS1SLC6A4SLC6A3MAPK14PTGS2
SCHEMBL2265558 0.75 RIPK1 (0.41) KMT2APIK3CA
SCHEMBL2260981 0.75 RIPK1 (0.41) KMT2APIK3CA
SCHEMBL22892092 0.74 KCNJ1 (0.41) MEN1KMT2AMAPTPIK3CALMNA
SCHEMBL2262203 0.74 BCL2L1 (0.44) MAPK14CYP2C9GCGR
SCHEMBL924375 0.73 MAPK10 (0.46) ALDH1A1NPC1RAB9AKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-2860178-A2 P2X3 receptor antagonists for treatment of pain Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
US-8598209-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-12-03 US disclosed
CN-102271682-A P2x3, receptor antagonists for treatment of pain 2011-12-07 CN disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 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 (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-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 PTGS1 258/4885SLC6A4 663/4885SLC6A3 633/4885

“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.