SCHEMBL22848034

SCHEMBL22848034

CC(C)c1nccc(/C=C/C(=O)OC(C)(C)C)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ESR1 P03372 1/20 0.32
▸ XPO1 O14980 1/20 0.31
▸ NR1H4 Q96RI1 2/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ MAP3K7 O43318 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
SCHEMBL29671322 1.00 HTT (0.37) HTTLMNANR1I2PGRCYP3A4
SCHEMBL31053001 0.95 KDM4E (0.36) HTTLMNANR1I2PGRCYP3A4
SCHEMBL28680459 0.81 KDM4E (0.41) HTTCCNCCDK8MAP3K7TAB1
SCHEMBL22848333 0.76 LMNA (0.43) HTTLMNANR1I2PGRCYP3A4
SCHEMBL29671313 0.76 LMNA (0.43) HTTLMNANR1I2PGRCYP3A4
SCHEMBL23693838 0.73 HRH4 (0.36) —
SCHEMBL24833024 0.71 CCR1 (0.41) LMNA
SCHEMBL13389343 0.70 LMNA (0.46) HTTLMNANR1I2PGRCYP3A4
SCHEMBL12680694 0.70 LMNA (0.46) HTTLMNANR1I2PGRCYP3A4
SCHEMBL19216924 0.69 NUDT1 (0.43) HTTLMNANR1I2PGRCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008037-B Heterocyclic compounds as KRAS G12C inhibitors 广东新契生物医药科技有限公司 2024-06-21 — — CN disclosed
US-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-05-19 — — US disclosed
WO-2020259513-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-12-30 — — 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-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HTT 206/4885LMNA 2941/4885NR1I2 2109/4885

“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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