SCHEMBL15927601

SCHEMBL15927601

COc1cc(F)c(C(C)C)cc1OBO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.41
P2RX2 Q9UBL9 6/20 0.41
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33
CETP P11597 1/20 0.33
EIF4A3 P38919 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL5166833 0.86 P2RX3 (0.45) P2RX3P2RX2GAAMGAMSI
SCHEMBL16383032 0.81 MGAM (0.31) P2RX3P2RX2GAAMGAMSI
SCHEMBL15706596 0.81 CYP1A2 (0.34) P2RX3P2RX2GAAPOLBGFER
SCHEMBL13085628 0.79 P2RX3 (0.43) P2RX3P2RX2GAA
SCHEMBL10102822 0.78 P2RX3 (0.36) P2RX3P2RX2GAAMGAMSI
SCHEMBL13085693 0.78 TUBB1 (0.40) P2RX3P2RX2GAAMGAMSI
SCHEMBL29786811 0.77 P2RX3 (0.38) P2RX3P2RX2GAAMGAMSI
SCHEMBL13059718 0.76 GAA (0.48) P2RX3P2RX2GAAMGAMSI
SCHEMBL12190518 0.76 P2RX3 (0.48) P2RX3P2RX2GAAMGAMSI
SCHEMBL21142303 0.76 GAA (0.48) P2RX3P2RX2GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 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 (2 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP P2RX3 4449/4885P2RX2 4366/4885GAA 1732/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP P2RX3 4449/4885P2RX2 4366/4885GAA 1732/4885

“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.