SCHEMBL4880333

SCHEMBL4880333

CC(C)c1ccccc1OS(N)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.49
CA1 P00915 10/20 0.49
ACHE P22303 1/20 0.49
CA9 Q16790 10/20 0.47
CA12 O43570 2/20 0.47
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
GAA P10253 1/20 0.40
ATM Q13315 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
SCHEMBL3511751 0.82 L3MBTL1 (0.47) CA2CA1ACHECA9CA12
SCHEMBL27905121 0.81 SLC22A6 (0.42) CA2CA1ACHEGABRA1GABRB2
SCHEMBL9451267 0.79 CA2 (0.61) CA2CA1CA9
SCHEMBL4875993 0.78 CA1 (0.45) CA2CA1CA9CA12
SCHEMBL4225144 0.77 HSD11B1 (0.41) CA2CA1ACHEGABRA1GABRB2
SCHEMBL28595222 0.74 MEN1 (0.56) GAA
SCHEMBL3372383 0.74 CA2 (0.52) CA2CA1CA9GAA
SCHEMBL9451230 0.74 CA2 (0.56) CA2CA1ACHECA9CA12
SCHEMBL4621913 0.73 ALDH1A1 (0.52) CA2CA1CA9CA12L3MBTL1
SCHEMBL17465920 0.73 GAA (0.61) CA2CA1CA9CA12GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP disclosed
US-10988485-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-04-27 US disclosed
EP-3790886-A1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2021-03-17 EP disclosed
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
WO-2019217691-A1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2019-11-14 WO disclosed
US-9770711-B2 General catalyst for C-H functionalization THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-26 US disclosed
US-9770711-B2 General catalyst for C-H functionalization THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-26 US disclosed
US-9770711-B2 General catalyst for C-H functionalization THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-26 US disclosed
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-22 US disclosed
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-22 US disclosed
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-22 US disclosed
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP 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 (4 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 CA2 1381/4885CA1 2639/4885ACHE 4798/4885
US-20160272662-A1 GENERAL CATALYST FOR C-H FUNCTIONALIZATION BET1, PLEC, NUDC CA2 1192/4885CA1 555/4885ACHE 3143/4885
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA2 2465/4885CA1 2659/4885ACHE 4824/4885
US-10988485-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CA2 2465/4885CA1 2659/4885ACHE 4824/4885

“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.