SCHEMBL3064229

SCHEMBL3064229

Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MLYCD O95822 3/20 0.38
RXRA P19793 6/20 0.38
RXRB P28702 4/20 0.38
PTPN5 P54829 1/20 0.36
RXRG P48443 3/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
RORC P51449 3/20 0.35
PDK2 Q15119 1/20 0.35
DHODH Q02127 1/20 0.33
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 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
SCHEMBL3063222 0.83 NR1I2 (0.48) CA2CA12CA1CA9CA14
SCHEMBL3066349 0.82 RXRA (0.50) CA2MLYCDRXRARXRBPTPN5
SCHEMBL15842049 0.79 CA12 (0.54) CA2CA12CA1CA9CA14
SCHEMBL3074485 0.77 NOTUM (0.54) CA2CA12CA1CA9CA14
SCHEMBL3065989 0.76 CA12 (0.39) CA2CA12CA1CA9CA14
SCHEMBL1853389 0.75 CA12 (0.63) CA2CA12CA1CA9CA14
SCHEMBL1854635 0.74 DHODH (0.48) CA2CA12CA1CA9CA14
SCHEMBL13092838 0.73 NR1I2 (0.41) CA2CA1
SCHEMBL318720 0.70 TDP1 (0.59) CA2CA12CA1CA9CA14
SCHEMBL13092852 0.70 NR1I2 (0.48)

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 CA2 1691/4885CA12 4774/4885CA1 3720/4885

“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.