SCHEMBL16117676

SCHEMBL16117676

Cc1cc(C(C)(C)C)c(C(N)=O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ CD44 P16070 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NNMT P40261 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ ADRA1D P25100 1/20 0.35

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
SCHEMBL16117701 0.87 L3MBTL1 (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL12251356 0.84 NR1H4 (0.35) CA12CA1CA2CA9CD44
SCHEMBL12251282 0.76 TP53 (0.42) L3MBTL1POLBALDH1A1SMN1; SMN2GAA
SCHEMBL28771982 0.75 CA12 (0.53) CA12CA1CA2CA9CA3
SCHEMBL16387318 0.74 DGAT1 (0.43) CA12CA1CA2CA9CA3
SCHEMBL28318361 0.73 KDM4E (0.50) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL26676171 0.73 DAO (0.35) L3MBTL1CA2POLBDAOALDH1A1
SCHEMBL10279383 0.72 CD44 (0.42) CA1CA2CD44POLBALDH1A1
SCHEMBL13145524 0.72 CD44 (0.42) CA1CA2CD44POLBDAO
SCHEMBL5952534 0.72 CD44 (0.56) CA12CA1CA2CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 — — US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 — — US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 — — US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 — — US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 — — 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 (4 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-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS L3MBTL1 745/4885CA12 3560/4885CA1 2764/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS L3MBTL1 745/4885CA12 3560/4885CA1 2764/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS L3MBTL1 745/4885CA12 3560/4885CA1 2764/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS L3MBTL1 1725/4885CA12 964/4885CA1 3457/4885

“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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