SCHEMBL16056434

SCHEMBL16056434

C=Cc1ccc(S(=O)(=O)NCCNc2ccc3ccccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 1/20 0.48
▸ KRAS P01116 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ TPSAB1 Q15661 2/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ NPY1R P25929 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ HTR7 P34969 3/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ POLB P06746 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
SCHEMBL17489495 0.80 ALDH1A1 (0.42) HRASKRASALDH1A1MEN1KMT2A
SCHEMBL17486851 0.79 HRAS (0.69) HRASKRASALDH1A1MEN1KMT2A
SCHEMBL16056750 0.79 TEAD4 (0.53) HRASKRASALDH1A1MEN1KMT2A
SCHEMBL17486853 0.78 BCHE (0.51) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL24370532 0.74 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2GAATPSAB1
SCHEMBL11605746 0.72 CYP1A2 (0.75) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9568696 0.72 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2GAATPSAB1
SCHEMBL9766713 0.70 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9067743 0.70 CA12 (0.62) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6290158 0.70 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2GAATPSAB1

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-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
WO-2014143659-A1 IRREVERSIBLE COVALENT INHIBITORS OF THE GTPASE K-RAS G12C ARAXES PHARMA LLC (US) 2014-09-18 — — WO disclosed
WO-2014143659-A1 IRREVERSIBLE COVALENT INHIBITORS OF THE GTPASE K-RAS G12C ARAXES PHARMA LLC (US) 2014-09-18 — — 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-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.

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