SCHEMBL16174403

SCHEMBL16174403

Cc1ccc(S(=O)(=O)CC(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
LGMN Q99538 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
NAMPT P43490 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
GRIA2 P42262 2/20 0.35
MMP13 P45452 2/20 0.35
MMP1 P03956 1/20 0.35
ELANE P08246 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPK14 Q16539 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL22212570 0.81 GAA (0.45) PTGS2LMNANAMPTJAK2JAK1
SCHEMBL11629219 0.81 KDM4E (0.53) SMN1; SMN2
SCHEMBL16172620 0.81 CHRNA7 (0.43) SMN1; SMN2LMNAMMP13MMP1
Hydrochloric Acid SCHEMBL28375436 0.78 GAA (0.47) PTGS2NAMPTJAK2JAK1TYK2
SCHEMBL14918845 0.77 P4HTM (0.50) PTGS2LMNAPTGDR2
SCHEMBL12697194 0.76 PTGS2 (0.41) PTGS2SMN1; SMN2NAMPTGRIA2ELANE
SCHEMBL24011092 0.75 NAPRT (0.52)
SCHEMBL2779200 0.75 ALDH1A1 (0.57) SMN1; SMN2
SCHEMBL28005239 0.73 MAPK1 (0.50) LMNA
SCHEMBL3067678 0.73 MMP13 (0.42) SMN1; SMN2MMP13MMP1

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-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 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-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 PTGS2 631/4885LGMN 3979/4885SMN1; SMN2 975/4885

“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.