SCHEMBL26782892

SCHEMBL26782892

C[C@H](NC(=O)OCc1ccccc1)[C@H](CCCCO)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.43
SYK P43405 1/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 3/20 0.41
CTSS P25774 3/20 0.41
CTSB P07858 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ELANE P08246 1/20 0.40
CTRB1 P17538 2/20 0.40

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
SCHEMBL13303252 0.97 ATM (0.48) ATMMAPTSYKCTSKCTSL
SCHEMBL25907516 0.93 ATM (0.50) ATMMAPTSYKCTSKCTSL
SCHEMBL30550771 0.93 ATM (0.50) ATMMAPTSYKCTSKCTSL
SCHEMBL13303250 0.82 ATM (0.48) ATMSYKCTSKCTSLCTSS
SCHEMBL18157219 0.80 ATM (0.53) ATMSYKCTSKCTSLCTSS
SCHEMBL12262714 0.80 ATM (0.50) ATMSYKCTSKCTSLCTSS
SCHEMBL25321397 0.78 P2RX7 (0.46) ATMCTSK
SCHEMBL25321389 0.78 P2RX7 (0.46) ATMCTSK
SCHEMBL25907518 0.78 P2RX7 (0.46) ATMCTSK
SCHEMBL26782894 0.78 P2RX7 (0.46) ATMCTSK

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-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 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-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 ATM 206/4885MAPT 2243/4885SYK 2284/4885

“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.