SCHEMBL17486853

SCHEMBL17486853

C=Cc1ccc(S(=O)(=O)NCCNc2cccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.51
▸ RECQL P46063 2/20 0.46
▸ CA12 O43570 2/20 0.45
▸ CA4 P22748 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA14 Q9ULX7 2/20 0.45
▸ ALDH1A1 P00352 9/20 0.44
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ACHE P22303 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
SCHEMBL17486855 0.80 BCHE (0.51) BCHERECQLCA12CA4CA7
SCHEMBL17486848 0.79 BCHE (0.58) BCHERECQLCA12CA4CA7
SCHEMBL16055874 0.78 GLRA3 (0.53) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL16056434 0.78 HRAS (0.48) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL19287497 0.73 BCHE (0.54) BCHERECQLCA12CA4CA7
SCHEMBL1521372 0.73 ALDH1A1 (0.60) RECQLCA12CA4CA7CA9
SCHEMBL11283741 0.72 CA12 (0.77) BCHERECQLCA12CA4CA7
Hydrochloric Acid SCHEMBL4443499 0.71 ALDH1A1 (0.78) BCHERECQLCA12CA4CA7
SCHEMBL18351214 0.71 RECQL (0.47) RECQLALDH1A1MAPTLMNAHTT
SCHEMBL9067743 0.70 CA12 (0.62) CA12CA9ALDH1A1MAPTLMNA

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 BCHE 3457/4885RECQL 213/4885CA12 3234/4885

“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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