SCHEMBL17100650

SCHEMBL17100650

CCOc1ccc(S(=O)(=O)N2CCN(c3nc(C4(c5ccc(F)cc5)CC4)no3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
PKM P14618 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
GBA1 P04062 1/20 0.43

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
SCHEMBL17100628 0.91 TDP1 (0.52) KMT2APKMGAAALDH1A1CYP1A2
SCHEMBL17100701 0.91 KMT2A (0.53) KMT2APKMGAANPSR1MEN1
SCHEMBL17100876 0.90 GBA1 (0.48) KMT2APKMGAAALDH1A1TSHR
SCHEMBL17100622 0.86 SCN9A (0.44) KMT2APKMALDH1A1MEN1GBA1
SCHEMBL17100657 0.84 MEN1 (0.46) KMT2APKMGAAALDH1A1CYP1A2
SCHEMBL17100778 0.84 PKM (0.46) KMT2APKMGAAALDH1A1TSHR
SCHEMBL17100802 0.81 ALDH1A1 (0.45) KMT2APKMGAAALDH1A1CYP3A4
SCHEMBL17100658 0.81 ALDH1A1 (0.55) KMT2APKMGAAALDH1A1TSHR
SCHEMBL17100675 0.81 ALDH1A1 (0.55) KMT2APKMALDH1A1TSHRNPC1
SCHEMBL17100902 0.79 PKM (0.49) KMT2APKMGAAALDH1A1CYP1A2

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 14 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-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 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 KMT2A 4820/4885PKM 362/4885GAA 310/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT KMT2A 4819/4885PKM 354/4885GAA 426/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT KMT2A 4820/4885PKM 362/4885GAA 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.