SCHEMBL19001352

SCHEMBL19001352

CCCOc1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
LMNA P02545 6/20 0.61
HTT P42858 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 2/20 0.61
TSHR P16473 3/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
MMP3 P08254 1/20 0.46
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL20733374 0.85 LMNA (0.66) CA12CA1CA2CA7CA9
SCHEMBL18997796 0.81 MMP3 (0.60) LMNAHTTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL6900466 0.81 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL931816 0.81 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL7629089 0.80 LMNA (0.63) CA12CA1CA2CA7CA9
SCHEMBL13481191 0.79 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL6323461 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL6325753 0.79 ADAM17 (0.67) CA12CA1CA2CA7CA9
SCHEMBL6325747 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL6323458 0.79 CA12 (0.51) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CA12 3573/4885CA1 4238/4885CA2 4222/4885

“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.