SCHEMBL31143282

SCHEMBL31143282

CCC(=O)Oc1nnc(-c2cc3c(cc2F)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N3Cc2ccc(Cl)cc2)o1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MDM2 Q00987 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ P2RX3 P56373 4/20 0.32
▸ NPY1R P25929 1/20 0.31
▸ XIAP P98170 2/20 0.31
▸ CCKBR P32239 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ KDM4D Q6B0I6 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29796949 0.90 POLB (0.35) POLBMAPTSRCP2RX3NPY1R
SCHEMBL26961647 0.90 POLB (0.35) POLBMAPTSRCP2RX3NPY1R
SCHEMBL26962041 0.89 POLB (0.35) POLBMAPTSRCP2RX3NPY1R
SCHEMBL26961878 0.89 POLB (0.35) POLBMAPTSRCP2RX3NPY1R
SCHEMBL29796826 0.89 POLB (0.35) POLBMAPTSRCP2RX3NPY1R
SCHEMBL29796836 0.88 POLB (0.35) POLBMAPTSRCP2RX3NPY1R
SCHEMBL26961996 0.88 POLB (0.35) POLBMAPTSRCP2RX3NPY1R
SCHEMBL29270740 0.88 P2RX3 (0.32) POLBMAPTSRCP2RX3XIAP
SCHEMBL26962245 0.88 LMNA (0.35) POLBMAPTSRCP2RX3NPY1R
SCHEMBL29796865 0.87 POLB (0.36) POLBMAPTSRCP2RX3NPY1R

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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — 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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 POLB 3285/4885MAPT 2781/4885MDM2 2948/4885

“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.

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