SCHEMBL29328271

SCHEMBL29328271

COc1cc(C(C)C)c(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.44
P2RX2 Q9UBL9 3/20 0.44
GAA P10253 3/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
THRB P10828 1/20 0.36
RORC P51449 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
PPOX P50336 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 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
SCHEMBL16160619 0.92 P2RX3 (0.41) P2RX3P2RX2GAAPOLBGFER
SCHEMBL14044153 0.85 P2RX3 (0.44) P2RX3P2RX2GAAPOLBGFER
SCHEMBL14039591 0.82 NPC1 (0.52) P2RX3P2RX2GAAPOLBGFER
SCHEMBL738874 0.82 GAA (0.48) P2RX3P2RX2GAAPOLBGFER
SCHEMBL8295701 0.79 GABRA1 (0.39) POLBKCNH2MAPTLMNAHTT
SCHEMBL19088274 0.79 HTR2A (0.44) GAAHTR2ASLC6A4KCNH2NPC1
SCHEMBL22037741 0.78 POLB (0.46) P2RX3P2RX2GAAPOLBGFER
SCHEMBL23592452 0.78 GAA (0.46) P2RX3P2RX2GAAPOLBGFER
SCHEMBL12190518 0.78 P2RX3 (0.48) P2RX3P2RX2GAAPOLBGFER
SCHEMBL23666032 0.78 GAA (0.48) P2RX3P2RX2GAAPOLBGFER

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE P2RX3 4454/4885P2RX2 3777/4885GAA 180/4885

“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.