SCHEMBL17100992

SCHEMBL17100992

COc1ccc(S(=O)(=O)N2CCN(c3nc(C4CC4)no3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.56
PKLR P30613 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 2/20 0.54
THRB P10828 1/20 0.53
POLB P06746 3/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD11B1 P28845 2/20 0.52
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL17100588 0.95 THRB (0.61) PKMPKLRNPC1RAB9ASMN1; SMN2
SCHEMBL17100911 0.88 SMN1; SMN2 (0.56) PKMSMN1; SMN2LMNATSHRKMT2A
SCHEMBL18603144 0.85 SMN1; SMN2 (0.48) PKMPKLRNPC1RAB9ASMN1; SMN2
SCHEMBL17100875 0.85 SMN1; SMN2 (0.48) PKMPKLRNPC1RAB9ASMN1; SMN2
SCHEMBL17100724 0.82 PKM (0.52) PKMPKLRNPC1RAB9ASMN1; SMN2
SCHEMBL17100742 0.81 PKM (0.57) PKMPKLRNPC1RAB9ASMN1; SMN2
SCHEMBL17115045 0.81 PKM (0.57) PKMPKLRNPC1RAB9ASMN1; SMN2
SCHEMBL17100773 0.81 HSD11B1 (0.58) PKMPKLRNPC1RAB9ASMN1; SMN2
SCHEMBL17100597 0.80 PKM (0.56) PKMPKLRNPC1RAB9ASMN1; SMN2
SCHEMBL17100954 0.80 PKM (0.56) PKMPKLRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US 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 PKM 362/4885PKLR 636/4885NPC1 1192/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT PKM 354/4885PKLR 644/4885NPC1 1323/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT PKM 362/4885PKLR 636/4885NPC1 1192/4885

“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.