SCHEMBL4143333

SCHEMBL4143333

CC(C)(C)OC(=O)N1Cc2nc(-c3ccccc3OC(=O)OCc3ccccc3)n(CCc3ccccc3)c(=O)c2C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.41
CASR P41180 11/20 0.38
PARP1 P09874 2/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
TP53 P04637 1/20 0.34
NR1I2 O75469 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL4142867 0.85 CASR (0.54) P2RX3CASR
SCHEMBL4135003 0.77 P2RX3 (0.46) P2RX3CASRPARP1TNKS2PARP2
SCHEMBL4143990 0.76 KDR (0.41) PARP1PARP2MEN1KMT2APTGDR2
SCHEMBL4135896 0.70 TP53 (0.43) P2RX3CASRTP53NR1I2
SCHEMBL4143940 0.70 CASR (0.54) CASR
SCHEMBL4140446 0.68 PDE10A (0.44) P2RX3CASRTP53PTGDR2
SCHEMBL5189813 0.66 CASR (0.56) CASR
SCHEMBL4135630 0.66 C5AR1 (0.50) TP53MEN1KMT2A
SCHEMBL4142349 0.66 TP53 (0.51) CASRTNKS2TP53KMT2A
SCHEMBL30915382 0.66 C5AR1 (0.42) P2RX3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB P2RX3 1604/4885CASR 12/4885PARP1 3786/4885

“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.