SCHEMBL1333248

SCHEMBL1333248

NC1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
IL1RN P18510 1/20 0.72
APEX1 P27695 1/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 5/20 0.62
LMNA P02545 2/20 0.62
EPHX2 P34913 1/20 0.62
AKR1C3 P42330 3/20 0.60
AKR1C1 Q04828 2/20 0.60
KDM4E B2RXH2 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
HTT P42858 2/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 2/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL11713864 0.87 MAPT (0.74) MAPTIL1RNAPEX1KMT2AMEN1
SCHEMBL14696960 0.86 ALDH1A1 (0.78) MAPTIL1RNAPEX1KMT2AMEN1
SCHEMBL3931238 0.85 MAPT (0.70) MAPTIL1RNAPEX1KMT2AMEN1
SCHEMBL26144941 0.85 MAPT (0.66) MAPTIL1RNAPEX1KMT2AMEN1
SCHEMBL26144942 0.85 MAPT (0.66) MAPTIL1RNAPEX1KMT2AMEN1
SCHEMBL3932198 0.84 MAPT (0.94) MAPTIL1RNAPEX1KMT2AMEN1
SCHEMBL1001486 0.84 MAPT (1.00) MAPTIL1RNAPEX1KMT2AMEN1
SCHEMBL29463849 0.84 MAPT (1.00) MAPTIL1RNAPEX1KMT2AMEN1
SCHEMBL30695457 0.83 MAPT (0.67) MAPTIL1RNAPEX1KMT2AMEN1
SCHEMBL4251683 0.82 MAPT (0.97) MAPTIL1RNAPEX1KMT2AMEN1

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
WO-2012061602-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-05-10 WO disclosed
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-11-10 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-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 MAPT 1836/4885IL1RN 1550/4885APEX1 3478/4885

“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.