SCHEMBL9976064

SCHEMBL9976064

CC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
MCOLN3 Q8TDD5 1/20 0.65
ALDH1A1 P00352 3/20 0.59
POLB P06746 1/20 0.58
PKM P14618 2/20 0.56
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
GPR183 P32249 1/20 0.50
HTR6 P50406 1/20 0.50
EPHX2 P34913 1/20 0.49
F13A1 P00488 1/20 0.49
TGM2 P21980 1/20 0.49
TGM1 P22735 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL10723723 0.88 MCOLN3 (0.75) MCOLN3ALDH1A1POLBPKMMEN1
SCHEMBL16026505 0.84 MEN1 (0.61) MAPTMCOLN3ALDH1A1POLBPKM
SCHEMBL25613354 0.84 MCOLN3 (0.71) MCOLN3ALDH1A1POLBPKMMEN1
SCHEMBL104325 0.84 MCOLN3 (0.71) MAPTMCOLN3ALDH1A1POLBPKM
SCHEMBL12049590 0.83 USP2 (0.71) MCOLN3POLBMEN1LMNAKMT2A
SCHEMBL4555390 0.83 USP2 (0.71) MCOLN3POLBMEN1LMNAKMT2A
SCHEMBL15372156 0.81 GFER (0.64) MAPTMCOLN3ALDH1A1POLBPKM
SCHEMBL13336796 0.81 PKM (0.58) MAPTMCOLN3ALDH1A1PKMMEN1
SCHEMBL12656155 0.81 KMT2A (0.70) MCOLN3ALDH1A1POLBPKMMEN1
SCHEMBL11977000 0.81 ATM (0.70) MCOLN3ALDH1A1POLBMEN1LMNA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826365-B2 Type II raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-28 US disclosed
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-02-23 US disclosed
US-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2022-11-17 US disclosed
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 US disclosed
US-20210230115-A1 Antibacterial Compounds Infex Therapeutics Limited (GB) 2021-07-29 US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-20200297721-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-9358231-B2 Type II RAF kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-07 US disclosed
US-20160046636-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-18 US disclosed
US-20130040949-A1 TYPE II RAF KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-02-14 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 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 (13 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B MAPT 3677/4885MCOLN3 3810/4885ALDH1A1 2789/4885
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS MAPT 3102/4885MCOLN3 2874/4885ALDH1A1 1642/4885
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS GAA, MGAM, NQO1 MAPT 4090/4885MCOLN3 2680/4885ALDH1A1 291/4885
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 MAPT 4445/4885MCOLN3 3851/4885ALDH1A1 2869/4885
US-20210230115-A1 Antibacterial Compounds GAA, MGAM, NQO1 MAPT 4090/4885MCOLN3 2680/4885ALDH1A1 291/4885
US-11826365-B2 Type II raf kinase inhibitors BRAF, RAF1, ARAF MAPT 3611/4885MCOLN3 4320/4885ALDH1A1 3226/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL MAPT 3958/4885MCOLN3 3342/4885ALDH1A1 2242/4885
US-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF TGFBR2, SMAD2, ACVR2A MAPT 2882/4885MCOLN3 4174/4885ALDH1A1 1720/4885
US-20200297721-A1 TYPE II RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPT 3611/4885MCOLN3 4320/4885ALDH1A1 3226/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 MAPT 4642/4885MCOLN3 4013/4885ALDH1A1 1113/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS MAPT 3102/4885MCOLN3 2874/4885ALDH1A1 1642/4885
US-20160046636-A1 TYPE II RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPT 3611/4885MCOLN3 4320/4885ALDH1A1 3226/4885
US-20130040949-A1 TYPE II RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPT 3611/4885MCOLN3 4320/4885ALDH1A1 3226/4885

“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.