SCHEMBL19028331

SCHEMBL19028331

CC(C)S(=O)(=O)N1CCCC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.42
AKR1C3 P42330 2/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HSD11B1 P28845 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL21795444 0.89 EPHX2 (0.44) MEN1KMT2ATSHRLMNAEPHX2
SCHEMBL31463763 0.81 AKR1C3 (0.40) MEN1KMT2ATSHRLMNAAKR1C3
SCHEMBL22644496 0.80 TSHR (0.53) MEN1KMT2ATSHRAKR1C3HSD11B1
SCHEMBL5371884 0.80 TSHR (0.53) MEN1KMT2ATSHRAKR1C3HSD11B1
SCHEMBL19869617 0.80 EPHX2 (0.38) MEN1KMT2ATSHRLMNAEPHX2
SCHEMBL13154397 0.79 KMT2A (0.44) MEN1KMT2ATSHRLMNAEPHX2
SCHEMBL20756318 0.78 MEN1 (0.44) MEN1KMT2ATSHRLMNAEPHX2
SCHEMBL14136755 0.78 MEN1 (0.41) MEN1KMT2ATSHRLMNAEPHX2
SCHEMBL9949800 0.77 KMT2A (0.53) MEN1KMT2ATSHRLMNAEPHX2
SCHEMBL9949809 0.77 KMT2A (0.53) MEN1KMT2ATSHRLMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394068-A1 TDO2 INHIBITORS Genentech, Inc. (US) 2018-10-31 EP claimed
WO-2017107979-A1 TDO2 INHIBITORS GENENTECH, INC. (US) 2017-06-29 WO claimed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 US disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN disclosed
EP-3394068-A1 TDO2 INHIBITORS Genentech, Inc. (US) 2018-10-31 EP disclosed
WO-2017107979-A1 TDO2 INHIBITORS GENENTECH, INC. (US) 2017-06-29 WO 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-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 MEN1 4540/4885KMT2A 664/4885TSHR 2016/4885

“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.