SCHEMBL21700460

SCHEMBL21700460

CCCS(=O)(=O)N(c1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccc(Cl)cc4)nc3c2)c1F)C(CC)[SH](=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
BRAF P15056 6/20 0.33
RIPK2 O43353 1/20 0.32
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
KRAS P01116 1/20 0.32
RAF1 P04049 1/20 0.32
PGR P06401 1/20 0.32
RET P07949 1/20 0.32
CHRM2 P08172 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ARAF P10398 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
FECH P22830 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
TGFBR2 P37173 1/20 0.32

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
SCHEMBL14715926 0.87 HPGD (0.44) HPGDNPC1RAB9ABRAFRIPK2
SCHEMBL20749365 0.83 HPGD (0.40) HPGDNPC1RAB9ABRAFRIPK2
SCHEMBL20749349 0.83 HPGD (0.40) HPGDNPC1RAB9ABRAFRIPK2
SCHEMBL14741674 0.81 HPGD (0.39) HPGDNPC1RAB9ABRAFRIPK2
SCHEMBL14716228 0.77 BRAF (0.49) HPGDBRAFRIPK2ABCB11EGFR
SCHEMBL14715915 0.75 BRAF (0.47) HPGDBRAFRIPK2ABCB11EGFR
SCHEMBL14716175 0.75 BRAF (0.33) NPC1RAB9ABRAFRIPK2ABCB11
SCHEMBL14716330 0.74 BRAF (0.50) HPGDNPC1RAB9ABRAFRIPK2
SCHEMBL14716174 0.73 BRAF (0.58) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL14725559 0.72 HPGD (0.53) HPGDNPC1RAB9AMEN1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2020-12-17 US disclosed
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2020-02-18 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 (2 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-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 HPGD 650/4885NPC1 4412/4885RAB9A 1846/4885
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, BRAF, CHEK1 HPGD 650/4885NPC1 4412/4885RAB9A 1846/4885

“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.