SCHEMBL12985489

SCHEMBL12985489

CC(C)c1c(Cl)cc(NS(C)(=O)=O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
KIF11 P52732 1/20 0.44
KEAP1 Q14145 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
EPHX2 P34913 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP17A1 P05093 1/20 0.38
GRIN1 Q05586 2/20 0.38
KCNH2 Q12809 2/20 0.38
GRIN2B Q13224 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL13034388 0.79 HPGD (0.47) HPGDGAAMAPK1KIF11KEAP1
SCHEMBL26812212 0.78 ADRA2C (0.43) HPGDKIF11KEAP1KDM4ELMNA
SCHEMBL12764248 0.78 CA1 (0.47) HPGDGAAMAPK1KIF11KEAP1
SCHEMBL19224095 0.74 HPGD (0.48) HPGDGAAMAPK1KIF11KEAP1
SCHEMBL3784731 0.74 ALDH1A1 (0.55) HPGDGAAMAPK1KIF11KEAP1
SCHEMBL11239744 0.74 ALDH1A1 (0.61) HPGDGAAMAPK1KIF11KEAP1
SCHEMBL9390760 0.73 HPGD (0.58) HPGDGAAMAPK1KIF11KEAP1
SCHEMBL2962874 0.73 EPHX2 (0.46) HPGDGAAMAPK1KIF11KEAP1
SCHEMBL8817771 0.72 GLP1R (0.42) LMNAALDH1A1CA1CA2CA9
SCHEMBL24173888 0.71 KIF11 (0.47) HPGDGAAMAPK1KIF11KEAP1

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-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HPGD 3688/4885GAA 3891/4885MAPK1 50/4885

“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.