SCHEMBL17100652

SCHEMBL17100652

CC(C)(c1ccccc1)c1noc(N2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
HSD11B1 P28845 7/20 0.41
PTGDR Q13258 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
GBA1 P04062 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL17100685 0.92 HSD11B1 (0.47) ALDH1A1PKMHSD11B1PTGDRLMNA
SCHEMBL17100810 0.90 GBA1 (0.41) ALDH1A1PKMHSD11B1PTGDRLMNA
SCHEMBL17100641 0.90 LMNA (0.39) ALDH1A1PKMHSD11B1PTGDRLMNA
SCHEMBL17100776 0.89 ALDH1A1 (0.56) ALDH1A1PKMHSD11B1LMNASMN1; SMN2
SCHEMBL17100836 0.81 HSD11B1 (0.43) ALDH1A1PKMHSD11B1LMNASMN1; SMN2
SCHEMBL17100813 0.81 HSD11B1 (0.53) ALDH1A1PKMHSD11B1LMNASMN1; SMN2
SCHEMBL17100680 0.81 L3MBTL1 (0.43) ALDH1A1HSD11B1PTGDRLMNASMN1; SMN2
SCHEMBL17100679 0.80 PKM (0.55) ALDH1A1PKMHSD11B1LMNASMN1; SMN2
SCHEMBL17100728 0.79 LMNA (0.41) ALDH1A1PKMPTGDRLMNASMN1; SMN2
SCHEMBL17100644 0.79 KDM2B (0.42) ALDH1A1PKMHSD11B1PTGDRLMNA

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 15 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
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 ALDH1A1 482/4885PKM 362/4885HSD11B1 528/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 561/4885PKM 354/4885HSD11B1 648/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 482/4885PKM 362/4885HSD11B1 528/4885

“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.