SCHEMBL17100587

SCHEMBL17100587

O=S(=O)(c1ccc(OC(F)F)cc1)N1CCN(c2nc(C3(c4cccc(Cl)c4)CC3)no2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
PTGDR Q13258 2/20 0.36

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
SCHEMBL17100695 0.90 LMNA (0.41) POLBNPSR1ALDH1A1LMNAMAPK1
SCHEMBL17100599 0.90 ALDH1A1 (0.40) POLBALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL17100705 0.89 ALDH1A1 (0.49) POLBNPSR1ALDH1A1LMNAMAPK1
SCHEMBL17100657 0.87 MEN1 (0.46) POLBCYP3A4CYP2C19NPSR1ALDH1A1
SCHEMBL17100694 0.84 TSHR (0.40) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17100677 0.80 ALDH1A1 (0.46) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17100641 0.78 LMNA (0.39) ALDH1A1LMNAMAPK1TSHRSMN1; SMN2
SCHEMBL17100658 0.78 ALDH1A1 (0.55) POLBALDH1A1LMNAMAPK1TSHR
SCHEMBL17100675 0.78 ALDH1A1 (0.55) POLBALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL18603136 0.76 SMN1; SMN2 (0.40) POLBALDH1A1LMNASMN1; SMN2MEN1

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 POLB 2985/4885CYP3A4 738/4885CYP2C19 1055/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT POLB 2935/4885CYP3A4 847/4885CYP2C19 1277/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT POLB 2985/4885CYP3A4 738/4885CYP2C19 1055/4885

“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.