SCHEMBL4119401

SCHEMBL4119401

COc1cccc(S(=O)(=O)c2sc(CCNC(=O)O)cc2-c2ccccc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.44
AKR1C3 P42330 1/20 0.39
MEP1B Q16820 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.37
PGR P06401 1/20 0.37
HSD11B1 P28845 1/20 0.37
CLK1 P49759 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 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
SCHEMBL4120655 0.88 NFE2L2 (0.39) KAT6AAKR1C3MEP1BGAAMTNR1B
SCHEMBL4119867 0.85 MAPT (0.41) KAT6AGAASMN1; SMN2MEN1KMT2A
SCHEMBL4131739 0.82 MEP1B (0.42) AKR1C3MEP1BMTNR1BALDH1A1HSD11B1
SCHEMBL3655896 0.82 KAT6A (0.42) KAT6AMEP1BMTNR1BPGRHSD11B1
Fumaric Acid SCHEMBL3645618 0.82 KAT6A (0.45) KAT6AMEP1BGAAMEN1KMT2A
Fumaric Acid SCHEMBL4132158 0.82 KAT6A (0.45) KAT6AMEP1BGAAMEN1KMT2A
SCHEMBL2839246 0.79 EDNRA (0.41) GAASMN1; SMN2MEN1KMT2AMTNR1B
SCHEMBL4132674 0.78 AKR1C3 (0.37) KAT6AAKR1C3KMT2AMTNR1BTDP1
SCHEMBL2837977 0.77 GAA (0.39) GAASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL4130269 0.76 KAT6A (0.33) KAT6AAKR1C3KMT2ATDP1CA1

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 KAT6A 4058/4885AKR1C3 1218/4885MEP1B 940/4885

“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.