SCHEMBL17100784

SCHEMBL17100784

COc1ccc(S(=O)(=O)N2CCC3(CC2)CN(c2nc(CC(F)(F)F)no2)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
PKLR P30613 1/20 0.44
RAB9A P51151 1/20 0.44
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 2/20 0.42
HSD11B1 P28845 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL17100595 0.91 GAA (0.45) SMN1; SMN2LMNAPKMALDH1A1HSD17B10
SCHEMBL17100692 0.89 ALDH1A1 (0.41) SMN1; SMN2LMNATSHRALDH1A1HSD17B10
SCHEMBL17100878 0.88 PKM (0.52) SMN1; SMN2LMNATSHRPKMNPC1
SCHEMBL17100816 0.87 TSHR (0.42) SMN1; SMN2LMNATSHRPKMALDH1A1
SCHEMBL17100608 0.86 LMNA (0.45) SMN1; SMN2LMNATSHRPKMNPC1
SCHEMBL17100610 0.85 GAA (0.44) SMN1; SMN2LMNATSHRPKMNPC1
SCHEMBL17102011 0.81 PKM (0.44) SMN1; SMN2LMNATSHRPKMNPC1
SCHEMBL17100786 0.79 PKM (0.50) SMN1; SMN2LMNATSHRPKMNPC1
SCHEMBL17100840 0.79 KMT2A (0.52) SMN1; SMN2LMNATSHRPKMALDH1A1
SCHEMBL17100802 0.78 ALDH1A1 (0.45) SMN1; SMN2LMNATSHRPKMNPC1

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 SMN1; SMN2 11/4885LMNA 760/4885TSHR 1833/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SMN1; SMN2 11/4885LMNA 748/4885TSHR 1962/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SMN1; SMN2 11/4885LMNA 760/4885TSHR 1833/4885

“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.