SCHEMBL17486851

SCHEMBL17486851

C=Cc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 1/20 0.69
▸ KRAS P01116 1/20 0.69
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ ALDH1A1 P00352 7/20 0.51
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL17486850 0.88 HRAS (0.60) HRASKRASMEN1KMT2AHTT
SCHEMBL31741888 0.81 KRAS (1.00) HRASKRASMEN1KMT2AHTT
SCHEMBL23613609 0.81 KRAS (1.00) HRASKRASMEN1KMT2AHTT
SCHEMBL31741902 0.81 KRAS (1.00) HRASKRASMEN1KMT2AHTT
SCHEMBL17486852 0.81 HRAS (0.56) HRASKRASMEN1KMT2AHTT
SCHEMBL16055874 0.80 GLRA3 (0.53) HRASKRASMEN1KMT2AHTT
SCHEMBL16056766 0.79 HRAS (0.56) HRASKRASMEN1KMT2AHTT
SCHEMBL16056434 0.79 HRAS (0.48) HRASKRASMEN1KMT2AALDH1A1
SCHEMBL14712382 0.78 NPSR1 (0.67) HRASKRASMEN1KMT2AHTT
SCHEMBL23843621 0.72 HRAS (0.58) HRASKRASMEN1KMT2AHTT

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
US-9745319-B2 Irreversible covalent inhibitors of the GTPase K-Ras G12C ARAXES PHARMA LLC (US) 2017-08-29 — — US disclosed
US-9745319-B2 Irreversible covalent inhibitors of the GTPase K-Ras G12C ARAXES PHARMA LLC (US) 2017-08-29 — — US disclosed
US-20160031898-A1 IRREVERSIBLE COVALENT INHIBITORS OF THE GTPASE K-RAS G12C ARAXES PHARMA LLC 2016-02-04 — — 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-20160031898-A1 IRREVERSIBLE COVALENT INHIBITORS OF THE GTPASE K-RAS G12C KRAS, HRAS, NRAS HRAS 2/4885KRAS 1/4885MEN1 1846/4885

“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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