SCHEMBL12995997

SCHEMBL12995997

CS(=O)(=O)COc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C3CCC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
SGK1 O00141 2/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
PRMT6 Q96LA8 3/20 0.33
TRIM24 O15164 1/20 0.33
ALDH2 P05091 1/20 0.33
SCN9A Q15858 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
TNIK Q9UKE5 1/20 0.33
MAP2K4 P45985 1/20 0.33
CYP11B2 P19099 2/20 0.32
KIT P10721 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
PIK3CD O00329 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
SCHEMBL12996001 0.98 SGK1 (0.35) PIK3CAMTORSGK1ATMATR
SCHEMBL10096227 0.92 MRGPRX1 (0.35) PIK3CAMTORSGK1ATMATR
SCHEMBL12995965 0.91 HRH3 (0.37) PIK3CAMTORSGK1ATMATR
SCHEMBL10096430 0.90 PIK3CA (0.35) PIK3CAMTORSGK1ATMATR
SCHEMBL10096390 0.90 IDO1 (0.37) PIK3CAMTORSGK1ATMATR
SCHEMBL10096665 0.89 KIT (0.36) PIK3CAMTORSGK1ATMATR
SCHEMBL12995995 0.89 PGR (0.38) SGK1CYP11B2KIT
SCHEMBL12106210 0.88 CTPS1 (0.39) SGK1MAP2K4CYP11B2KITEGLN2
SCHEMBL12996000 0.88 MAPT (0.33) PIK3CAMTORSGK1CYP11B2
SCHEMBL12106426 0.88 CYP11B2 (0.37) PIK3CAMTORSGK1ATMATR

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PIK3CA 3705/4885MTOR 1626/4885SGK1 2038/4885

“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.