SCHEMBL17100628

SCHEMBL17100628

CCOc1ccc(S(=O)(=O)N2CCN(c3nc(C4(c5ccc(Cl)cc5)CC4)no3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GAA P10253 3/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
APOBEC3A P31941 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 3/20 0.44
YAP1 P46937 1/20 0.44
TEAD4 Q15561 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
SCHEMBL17100650 0.91 KMT2A (0.49) GAATSHRCYP1A2CYP3A4CYP2C19
SCHEMBL17100701 0.91 KMT2A (0.53) TDP1GAAL3MBTL1KMT2AMEN1
SCHEMBL17100658 0.90 ALDH1A1 (0.55) GAATSHRALDH1A1MAPK1KMT2A
SCHEMBL17100657 0.90 MEN1 (0.46) TDP1GAATSHRCYP1A2CYP3A4
SCHEMBL17100695 0.86 LMNA (0.41) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL17100700 0.84 TSHR (0.43) TSHRALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL17100777 0.81 TDP1 (0.60) TDP1GAATSHRCYP1A2CYP3A4
SCHEMBL17100876 0.81 GBA1 (0.48) GAATSHRALDH1A1L3MBTL1KMT2A
SCHEMBL17100702 0.81 TDP1 (0.60) TDP1GAATSHRCYP1A2CYP3A4
SCHEMBL17100675 0.81 ALDH1A1 (0.55) TSHRALDH1A1KMT2ALMNAPOLB

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 TDP1 327/4885GAA 310/4885TSHR 1833/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT TDP1 349/4885GAA 426/4885TSHR 1962/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT TDP1 327/4885GAA 310/4885TSHR 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.