SCHEMBL22555047

SCHEMBL22555047

CC(C)(C)C(=O)Oc1ccc(N)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
ELANE P08246 11/20 0.51
EP300 Q09472 2/20 0.51
KAT8 Q9H7Z6 2/20 0.51
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC3 O15379 1/20 0.40
KAT2B Q92831 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
CHEK1 O14757 1/20 0.40
CA2 P00918 1/20 0.40
ADRB2 P07550 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL30064961 1.00 IDO1 (0.53) IDO1ELANEEP300KAT8ALDH1A1
SCHEMBL16005349 0.83 ELANE (0.54) IDO1ELANEEP300KAT8ALDH1A1
SCHEMBL18785662 0.81 ELANE (0.53) IDO1ELANECHEK1
SCHEMBL28298353 0.80 PKM (0.62) ELANELMNACHEK1PKMNPC1
SCHEMBL28841735 0.79 IDO1 (0.55) IDO1EP300KAT8ALDH1A1LMNA
SCHEMBL30341823 0.77 PKM (0.49) ELANEALDH1A1LMNAPKMNPC1
SCHEMBL12643226 0.77 IDO1 (0.53) IDO1ELANEEP300KAT8ALDH1A1
SCHEMBL19180363 0.77 PKM (0.67) IDO1EP300KAT8LMNAPKM
SCHEMBL31748924 0.76 ALDH1A1 (0.60) ELANEALDH1A1TSHRRAB9A
SCHEMBL1538258 0.76 ALDH1A1 (0.60) ELANEALDH1A1TSHRRAB9A

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-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 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 (2 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS IDO1 4640/4885ELANE 1876/4885EP300 2307/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS IDO1 4640/4885ELANE 1876/4885EP300 2307/4885

“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.