SCHEMBL17486849

SCHEMBL17486849

C=Cc1cccc(S(=O)(=O)NCCOc2cccc3ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GLRA3 O75311 2/20 0.51
▸ GLRB P48167 1/20 0.51
▸ ADRB1 P08588 1/20 0.47
▸ HTR1B P28222 7/20 0.47
▸ HTR1D P28221 2/20 0.47
▸ SLC6A4 P31645 2/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ NR2E1 Q9Y466 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL16055874 0.88 GLRA3 (0.53) GLRA3GLRBADRB1HTR1BHTR1D
SCHEMBL17486850 0.83 HRAS (0.60) GLRA3GLRBHTTALDH1A1KMT2A
SCHEMBL17486854 0.79 HTR1B (0.49) GLRA3GLRBHTR1BHTR1DSLC6A4
SCHEMBL12374690 0.78 ALDH1A1 (0.55) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL17486847 0.78 HTR1B (0.56) HTR1BHTR1DSLC6A4HRH1KDM4E
SCHEMBL19287439 0.72 HTR1B (0.56) GLRA3GLRBHTR1BHTR1DSLC6A4
SCHEMBL17486851 0.71 HRAS (0.69) ADRB1HTTALDH1A1KMT2ANPSR1
SCHEMBL23067892 0.68 HTR1B (0.84) HTR1BHTR1DSLC6A4HRH1KDM4E
SCHEMBL30756665 0.68 HTR1B (0.84) HTR1BHTR1DSLC6A4HRH1KDM4E
SCHEMBL17486853 0.67 BCHE (0.51) KDM4ELMNAMAPTHTTALDH1A1

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 GLRA3 1975/4885GLRB 1649/4885ADRB1 4436/4885

“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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