SCHEMBL29328240

SCHEMBL29328240

COc1cc(C(C)C)c(C#N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.42
P2RX2 Q9UBL9 2/20 0.42
AR P10275 7/20 0.41
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTR2A P28223 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
SCHEMBL10603589 0.85 P2RX3 (0.49) P2RX3P2RX2ARIMPDH2IMPDH1
SCHEMBL29328285 0.82 AR (0.37) P2RX3P2RX2ARKDM4EUSP2
SCHEMBL12041224 0.81 TRPV4 (0.42) P2RX3P2RX2ARALDH1A1TRPV4
SCHEMBL18068019 0.80 TRPV4 (0.41) ARTRPV4CYP11B1CYP11B2
SCHEMBL3425063 0.80 KDM4E (0.48) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL11963120 0.80 TRPV4 (0.50) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL29328225 0.79 P2RX3 (0.42) P2RX3P2RX2ARIMPDH2IMPDH1
SCHEMBL16918776 0.79 P2RX3 (0.42) P2RX3P2RX2ARIMPDH2IMPDH1
SCHEMBL15646608 0.77 KDM4E (0.42) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL13748193 0.77 P2RX3 (0.58) P2RX3P2RX2ARIMPDH2IMPDH1

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 3777/4885AR 3185/4885

“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.