SCHEMBL17100588

SCHEMBL17100588

COc1ccc(S(=O)(=O)N2CCN(c3nc(C4CCCCC4)no3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
PKM P14618 4/20 0.52
NPC1 O15118 1/20 0.52
PKLR P30613 1/20 0.52
RAB9A P51151 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 5/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
EPHX2 P34913 1/20 0.49
HSD11B1 P28845 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL17100992 0.95 PKM (0.56) THRBKDM4EGAAPKMNPC1
SCHEMBL17100911 0.83 SMN1; SMN2 (0.56) KDM4EGAAPKMLMNATSHR
SCHEMBL18603144 0.82 SMN1; SMN2 (0.48) THRBKDM4EGAAPKMNPC1
SCHEMBL17100875 0.82 SMN1; SMN2 (0.48) THRBKDM4EGAAPKMNPC1
SCHEMBL17100724 0.79 PKM (0.52) THRBKDM4EGAAPKMNPC1
SCHEMBL17115045 0.78 PKM (0.57) KDM4EPKMNPC1PKLRRAB9A
SCHEMBL17100742 0.78 PKM (0.57) KDM4EPKMNPC1PKLRRAB9A
SCHEMBL17100773 0.78 HSD11B1 (0.58) KDM4EPKMNPC1PKLRRAB9A
SCHEMBL17100597 0.78 PKM (0.56) KDM4EPKMNPC1PKLRRAB9A
SCHEMBL17100954 0.78 PKM (0.56) KDM4EPKMNPC1PKLRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US claimed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US claimed
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 EP claimed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO claimed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 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 (3 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-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT THRB 726/4885KDM4E 4760/4885GAA 310/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT THRB 788/4885KDM4E 4743/4885GAA 426/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT THRB 726/4885KDM4E 4760/4885GAA 310/4885

“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.