SCHEMBL17486850

SCHEMBL17486850

C=Cc1cccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 1/20 0.60
▸ KRAS P01116 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.49
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GLRA3 O75311 1/20 0.44
▸ GLRB P48167 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL17486851 0.88 HRAS (0.69) HRASKRASALDH1A1MEN1KMT2A
SCHEMBL17486849 0.83 GLRA3 (0.51) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL12374690 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL17486852 0.79 HRAS (0.56) HRASKRASALDH1A1MEN1KMT2A
SCHEMBL16056766 0.77 HRAS (0.56) HRASKRASALDH1A1MEN1KMT2A
SCHEMBL14712382 0.76 NPSR1 (0.67) HRASKRASALDH1A1MEN1KMT2A
SCHEMBL23613609 0.75 KRAS (1.00) HRASKRASALDH1A1MEN1KMT2A
SCHEMBL31741888 0.75 KRAS (1.00) HRASKRASALDH1A1MEN1KMT2A
SCHEMBL31741902 0.75 KRAS (1.00) HRASKRASALDH1A1MEN1KMT2A
SCHEMBL3897403 0.72 HRAS (0.57) HRASKRASALDH1A1MEN1KMT2A

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 4 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
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 1/4885ALDH1A1 3265/4885

“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.

Send feedback