SCHEMBL17833788

SCHEMBL17833788

COc1ncc(Br)cc1NS(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.53
MTOR P42345 8/20 0.53
HDAC1 Q13547 2/20 0.45
PIK3CG P48736 2/20 0.45
S100A9 P06702 3/20 0.44
PIK3CD O00329 5/20 0.43
PIK3R1 P27986 5/20 0.43
PIK3CB P42338 1/20 0.43
CCR4 P51679 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP3K20 Q9NYL2 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
SCHEMBL15556197 0.88 MTOR (0.55) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL25390717 0.86 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL30572690 0.86 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL22447636 0.85 PIK3CG (0.46) PIK3CAMTORPIK3CGS100A9PIK3CD
SCHEMBL22447721 0.84 GLO1 (0.46) PIK3CAMTORPIK3CGS100A9PIK3CD
SCHEMBL358926 0.83 PIK3CG (0.63) PIK3CAMTORPIK3CGS100A9PIK3CD
SCHEMBL16551868 0.82 PIK3CA (0.55) PIK3CAMTORPIK3CGMEN1POLB
SCHEMBL28549695 0.82 PIK3CG (0.50) PIK3CAMTORPIK3CGS100A9PIK3CD
SCHEMBL30333387 0.81 PIK3CA (0.45) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL22447546 0.81 CCR4 (0.59) PIK3CAMTORPIK3CGS100A9PIK3CD

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-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SECOND MILITARY MEDICAL UNIVERSITY, PLA (CN) 2016-06-16 US disclosed
US-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SECOND MILITARY MEDICAL UNIVERSITY, PLA (CN) 2016-06-16 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-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF GLS2, CYP3A5, HCCS PIK3CA 532/4885MTOR 1636/4885HDAC1 1018/4885

“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.