SCHEMBL1104713

SCHEMBL1104713

CC(C)(C)[C@H]1CCN(S(C)(=O)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.33
FABP6 P51161 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ACLY P53396 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL2625515 1.00 TP53 (0.39) TP53TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL12384404 1.00 TP53 (0.39) TP53TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL24619078 0.88 TSHR (0.45) TSHRALDH1A1MAPK1FABP6NPSR1
SCHEMBL9917274 0.88 TSHR (0.45) TSHRALDH1A1MAPK1FABP6NPSR1
SCHEMBL1104697 0.87 TP53 (0.46) TP53TSHRSMN1; SMN2ALDH1A1ATM
SCHEMBL29333971 0.86 ALDH1A1 (0.42) TSHRALDH1A1MAPK1ATMFABP6
SCHEMBL15177622 0.82 PAX8 (0.32) TP53TSHRALDH1A1ATM
SCHEMBL12947486 0.82 KDM4E (0.37) TP53TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL25456270 0.82 EPHX2 (0.33) ALDH1A1CYP2D6KCNH2HRH3ACLY
SCHEMBL8239122 0.82 CYP2D6 (0.32) ALDH1A1CYP2D6KCNH2HRH3ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors OSCOTEC INC. (KR) 2022-06-28 US disclosed
US-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC. (KR) 2021-11-25 US disclosed
US-8481579-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-07-09 US disclosed
US-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-06-28 US disclosed
US-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-06-28 US disclosed
US-8153818-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2012-04-10 US disclosed
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-07-29 US disclosed
US-7718683-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-05-18 US disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 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 (5 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-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 TP53 3275/4885TSHR 1047/4885SMN1; SMN2 2420/4885
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 TP53 3275/4885TSHR 1047/4885SMN1; SMN2 2420/4885
US-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR LRRK2, PARK7, WEE1 TP53 1144/4885TSHR 4304/4885SMN1; SMN2 538/4885
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors LRRK2, PARK7, PAK3 TP53 759/4885TSHR 4342/4885SMN1; SMN2 263/4885
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 TP53 3275/4885TSHR 1047/4885SMN1; SMN2 2420/4885

“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.