SCHEMBL17486852

SCHEMBL17486852

C=Cc1ccccc1S(=O)(=O)NCCOc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 1/20 0.56
▸ KRAS P01116 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PPARG P37231 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39

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 0.81 HRAS (0.69) HRASKRASTDP1PPARGALDH1A1
SCHEMBL17486854 0.80 HTR1B (0.49) KDM4EALDH1A1KMT2A
SCHEMBL16056766 0.79 HRAS (0.56) HRASKRASKDM4EMAPK1TDP1
SCHEMBL17489495 0.79 ALDH1A1 (0.42) HRASKRASKDM4EALDH1A1MEN1
SCHEMBL17486850 0.79 HRAS (0.60) HRASKRASTDP1PPARGALDH1A1
SCHEMBL23843619 0.76 RAPGEF3 (0.65) HRASKRASKDM4ETDP1ALDH1A1
SCHEMBL23843621 0.72 HRAS (0.58) HRASKRASMAPK1TDP1PPARG
SCHEMBL27393985 0.72 RECQL (0.42) KDM4EMAPK1TDP1ALDH1A1MEN1
SCHEMBL23613609 0.72 KRAS (1.00) HRASKRASTDP1PPARGALDH1A1
SCHEMBL31741902 0.72 KRAS (1.00) HRASKRASTDP1PPARGALDH1A1

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 1/4885KDM4E 1974/4885

“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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