SCHEMBL20478178

SCHEMBL20478178

Cc1ccccc1S(=O)(=O)NC(C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53
ITGAV P06756 2/20 0.50
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
ITGA2 P17301 1/20 0.43
EDNRA P25101 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 2/20 0.41
KAT6A Q92794 1/20 0.41
EDNRB P24530 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8852192 0.86 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ITGAVALDH1A1
SCHEMBL9001208 0.85 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1ITGAVALDH1A1
SCHEMBL8851832 0.83 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1ITGAVALDH1A1
SCHEMBL4588941 0.78 SLC1A3 (0.74) SLC1A3SLC1A2SLC1A1ITGAVALDH1A1
SCHEMBL3964633 0.78 SLC1A3 (0.74) SLC1A3SLC1A2SLC1A1ITGAVALDH1A1
SCHEMBL23518183 0.77 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ITGAVALDH1A1
SCHEMBL8851519 0.77 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ITGAVALDH1A1
SCHEMBL13951132 0.77 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1ALDH1A1LMNA
SCHEMBL8851493 0.77 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ITGAVALDH1A1
SCHEMBL14798294 0.77 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1ITGAVALDH1A1

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-20180243297-A1 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-08-30 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-20180243297-A1 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B SLC1A3 1789/4885SLC1A2 2404/4885SLC1A1 1871/4885

“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.