SCHEMBL22312263

SCHEMBL22312263

C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
KMT2A Q03164 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
MLYCD O95822 1/20 0.39
EPHX2 P34913 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
TRPA1 O75762 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
FPR2 P25090 1/20 0.37
SCN9A Q15858 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL18130613 0.81 AAK1 (0.41) KMT2ACA1CA2CA7AAK1
SCHEMBL18614015 0.80 KDM4E (0.44) KMT2AAAK1KDM4EGLAGAA
SCHEMBL11901907 0.79 CTSS (0.40) CTSSCTSKKCNQ4KCNQ5KMT2A
SCHEMBL11901739 0.78 CTSS (0.39) CTSSCTSKKMT2AGAASCN9A
SCHEMBL3871050 0.77 TRPA1 (0.48) CTSSCTSKCA1CA2CA7
SCHEMBL21180491 0.77 TRPA1 (0.48) CTSSCTSKCA1CA2CA7
SCHEMBL8607262 0.77 TRPA1 (0.50) CTSSCTSKCA2TRPA1
SCHEMBL8607268 0.77 TRPA1 (0.50) CTSSCTSKCA2TRPA1
SCHEMBL5055741 0.76 CTSS (0.44) CTSSCTSKKCNQ4KCNQ5KMT2A
SCHEMBL7147027 0.76 CTSS (0.44) CTSSCTSKKCNQ4KCNQ5KMT2A

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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-03-31 US disclosed
WO-2020160134-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB CTSS 3181/4885CTSK 2780/4885KCNQ4 4513/4885

“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.