SCHEMBL452001

SCHEMBL452001

CC(C)(O)Cn1c(=O)[nH]c2c(-c3ccc(F)cc3)cc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.43
B3GNT2 Q9NY97 2/20 0.37
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
ADORA2B P29275 3/20 0.34
PER2 O15055 1/20 0.33
PADI4 Q9UM07 1/20 0.33
ADORA2A P29274 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRM2 Q14416 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PPARA Q07869 1/20 0.33
NR4A2 P43354 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33

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
SCHEMBL451909 0.89 PIK3CA (0.41) PIK3CAMAPK14ADORA2BADORA2AGRIN1
SCHEMBL24117024 0.73 PGR (0.55) PIK3CAB3GNT2GRIN1GRIN2B
SCHEMBL24117033 0.73 PGR (0.46) PIK3CAGRIN1GRIN2BGRM2
SCHEMBL15334309 0.66 PIK3CA (0.43) PIK3CABCL2L1BAD
SCHEMBL347185 0.64 BCL2L1 (0.44) GCGRMAPK14BCL2L1BADGRM2
SCHEMBL2745136 0.63 BCL2L1 (0.58) GCGRMAPK14BCL2L1BADNR4A2
SCHEMBL2259172 0.63 BCL2L1 (0.40) PIK3CAB3GNT2GCGRMAPK14BCL2L1
SCHEMBL24117148 0.62 MAOB (0.49) B3GNT2GRIN1GRIN2B
SCHEMBL16672322 0.62 BCL2L1 (0.47) GCGRMAPK14BCL2L1BADMAP4K4
SCHEMBL20529269 0.61 B3GNT2 (0.64) B3GNT2GRIK1GRIA1GRIA2GRIA3

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
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 PIK3CA 1435/4885B3GNT2 2458/4885GCGR 783/4885

“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.