SCHEMBL17100799

SCHEMBL17100799

CSc1ccc(S(=O)(=O)N2CCN(c3nc(C(F)(F)c4ccccc4)no3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD11B1 P28845 6/20 0.40
PKM P14618 2/20 0.40
GBA1 P04062 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
GCK P35557 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL17100764 0.91 PKM (0.49) TSHRMEN1KMT2AHSD11B1PKM
SCHEMBL17100821 0.90 HSD11B1 (0.46) TSHRMEN1KMT2AHSD11B1PKM
SCHEMBL17100679 0.86 PKM (0.55) TSHRKMT2AHSD11B1PKMGBA1
SCHEMBL17100810 0.83 GBA1 (0.41) MEN1KMT2AHSD11B1PKMGBA1
SCHEMBL17100665 0.82 HSD11B1 (0.49) TSHRMEN1KMT2AHSD11B1PKM
SCHEMBL17100887 0.81 HSD11B1 (0.41) TSHRMEN1KMT2AHSD11B1PKM
SCHEMBL17100720 0.79 TSHR (0.47) TSHRMEN1KMT2AHSD11B1PKM
SCHEMBL17100667 0.78 HSD11B1 (0.50) TSHRMEN1KMT2AHSD11B1PKM
SCHEMBL17100892 0.77 TSHR (0.45) TSHRMEN1KMT2AHSD11B1PKM
SCHEMBL17100797 0.77 HSD11B1 (0.49) TSHRMEN1KMT2AHSD11B1PKM

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 TSHR 1833/4885MEN1 2665/4885KMT2A 4820/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT TSHR 1962/4885MEN1 2837/4885KMT2A 4819/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT TSHR 1833/4885MEN1 2665/4885KMT2A 4820/4885

“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.