SCHEMBL23592452

SCHEMBL23592452

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
GFER P55789 1/20 0.46
P2RX3 P56373 3/20 0.46
P2RX2 Q9UBL9 3/20 0.46
ALDH1A1 P00352 4/20 0.40
TUBB1 Q9H4B7 2/20 0.39
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL2758296 0.83 GAA (0.57) GAAPOLBGFERP2RX3P2RX2
SCHEMBL14646980 0.81 POLB (0.60) GAAPOLBGFERP2RX3P2RX2
SCHEMBL24371606 0.81 GAA (0.50) GAAPOLBGFERP2RX3P2RX2
SCHEMBL23666032 0.79 GAA (0.48) GAAPOLBGFERP2RX3P2RX2
SCHEMBL12190518 0.79 P2RX3 (0.48) GAAPOLBGFERP2RX3P2RX2
SCHEMBL23771942 0.79 TAS1R3 (0.39) GAAPOLBGFERP2RX3P2RX2
SCHEMBL29328271 0.78 P2RX3 (0.44) GAAPOLBGFERP2RX3P2RX2
SCHEMBL15576975 0.78 TUBB1 (0.50) GAAPOLBGFERTUBB1LMNA
SCHEMBL9945874 0.78 LMNA (0.35) GAAPOLBGFERALDH1A1LMNA
SCHEMBL12062506 0.77 POLB (0.55) GAAPOLBGFERP2RX3P2RX2

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
WO-2021132577-A1 ACYLSULFAMIDE COMPOUND AND PHARMACEUTICAL USE THEREFOR 日本たばこ産業株式会社 2021-07-01 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE GAA 180/4885POLB 1288/4885GFER 4152/4885

“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.