SCHEMBL8388756

SCHEMBL8388756

COc1cccc(S(=O)(=O)Nc2ccc(F)c(C(O)C3CNc4ncccc43)c2F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.46
GLO1 Q04760 1/20 0.46
MAP3K20 Q9NYL2 2/20 0.43
NFE2L2 Q16236 3/20 0.42
KEAP1 Q14145 2/20 0.42
BRAF P15056 4/20 0.40
PGAM1 P18669 1/20 0.40
GAA P10253 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PGR P06401 1/20 0.37
AXL P30530 2/20 0.36

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
SCHEMBL13139153 0.79 BRAF (0.44) MAP3K20BRAFCYP3A4CYP2C9
SCHEMBL10293139 0.79 BRAF (0.40) SLC40A1MAP3K20BRAFCYP3A4
SCHEMBL12960827 0.77 BRAF (0.39) SLC40A1MAP3K20BRAFCYP3A4
SCHEMBL855957 0.75 KEAP1 (0.48) SLC40A1GLO1MAP3K20NFE2L2KEAP1
SCHEMBL12960655 0.75 BRAF (0.42) BRAF
SCHEMBL855853 0.70 SLC40A1 (0.45) SLC40A1GLO1MAP3K20NFE2L2KEAP1
SCHEMBL12340780 0.70 BRAF (0.41) MAP3K20BRAFCYP3A4CYP2C9
SCHEMBL13138465 0.69 ALDH1A1 (0.47) GAACYP3A4CYP2C9
SCHEMBL13138311 0.69 SLC40A1 (0.47) SLC40A1GLO1BRAFCYP3A4CYP2C9
SCHEMBL297187 0.68 CYP3A4 (0.66) MAP3K20NFE2L2KEAP1BRAFCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 SLC40A1 4735/4885GLO1 2658/4885MAP3K20 10/4885

“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.