SCHEMBL17100796

SCHEMBL17100796

COc1ccc(S(=O)(=O)N2CCC3(CC2)CNC3OC(=O)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.48
NPC1 O15118 1/20 0.48
PKLR P30613 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD11B1 P28845 1/20 0.44
GAA P10253 1/20 0.44
CCR6 P51684 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL17100795 0.76 PKM (0.55) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL6522305 0.73 PKM (0.63) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17100585 0.72 PKM (0.67) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17101977 0.71 CYP3A4 (0.65) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17102104 0.70 PKM (0.71) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL11888962 0.69 PKM (0.65) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL25370038 0.69 LMNA (0.43) ALDH1A1LMNAMEN1POLBKMT2A
SCHEMBL31315853 0.69 PKM (1.00) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL1722721 0.69 PKM (1.00) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17102096 0.68 CYP3A4 (0.62) PKMNPC1PKLRRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 362/4885NPC1 1192/4885PKLR 636/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT PKM 354/4885NPC1 1323/4885PKLR 644/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT PKM 362/4885NPC1 1192/4885PKLR 636/4885

“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.