SCHEMBL3064221

SCHEMBL3064221

O=C(O)c1cc(-c2ccc(F)cn2)cc(C(O)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.45
PPARA Q07869 1/20 0.40
NR1I2 O75469 2/20 0.39
NPC1 O15118 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGDS O60760 1/20 0.38
P4HA1 P13674 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
GABRA5 P31644 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
P2RX7 Q99572 1/20 0.35
EIF4E P06730 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
SCHEMBL3064078 0.86 NR1I2 (0.44) LDHANR1I2NPC1P4HA1P4HTM
SCHEMBL3073172 0.86 NR1I2 (0.44) LDHANR1I2NPC1P4HA1P4HTM
SCHEMBL3073168 0.86 NR1I2 (0.44) LDHANR1I2NPC1P4HA1P4HTM
SCHEMBL3053339 0.84 NR1I2 (0.39) LDHANR1I2NPC1RXFP1HPGDS
SCHEMBL13092746 0.81 NR1I2 (0.64) NR1I2P2RX3P2RX2GABRA5
SCHEMBL13092747 0.78 DGAT2 (0.42) PPARANR1I2HPGDSP2RX3P2RX2
SCHEMBL21092140 0.78 ADORA2B (0.39) NR1I2HPGDSP2RX3P2RX2P2RX7
SCHEMBL13092774 0.78 NR1I2 (0.49) NR1I2NPC1P2RX3P2RX2GABRA5
SCHEMBL21091751 0.78 PPARA (0.38) PPARANR1I2HPGDSP2RX3P2RX2
SCHEMBL21091750 0.78 NR1I2 (0.50) NR1I2P2RX3P2RX2GABRA5

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-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
EP-2215049-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2010-08-11 EP disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 LDHA 3593/4885PPARA 1872/4885NR1I2 598/4885

“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.