SCHEMBL16633235

SCHEMBL16633235

Cc1ccc(S(=O)(=O)OCC2CC(C)CN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MMP13 P45452 1/20 0.41
GPR119 Q8TDV5 12/20 0.41
NR1H2 P55055 1/20 0.41
NAMPT P43490 1/20 0.40
P2RX7 Q99572 2/20 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
SCHEMBL16633236 1.00 KMT2A (0.45) KMT2AMEN1MMP13GPR119NR1H2
SCHEMBL344871 0.91 KMT2A (0.49) KMT2AMEN1MMP13GPR119NR1H2
SCHEMBL16654334 0.85 STAT3 (0.42) KMT2AMEN1
SCHEMBL13832628 0.84 GPR119 (0.51) KMT2AMEN1MMP13GPR119
SCHEMBL1502200 0.84 GPR119 (0.51) KMT2AMEN1MMP13GPR119
SCHEMBL13832841 0.84 GPR119 (0.51) KMT2AMEN1MMP13GPR119
SCHEMBL31282646 0.84 KMT2A (0.47) KMT2AMEN1MMP13GPR119NR1H2
SCHEMBL344239 0.83 SCN9A (0.49) KMT2AMEN1MMP13GPR119
SCHEMBL9068325 0.83 SCN9A (0.49) KMT2AMEN1MMP13GPR119
SCHEMBL344238 0.83 SCN9A (0.49) KMT2AMEN1MMP13GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP disclosed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-13 US disclosed
US-10087174-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-02 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 US disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 US 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 (5 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-10087174-B2 Selectively substituted quinoline compounds SSB, TLR7, TLR8 KMT2A 812/4885MEN1 4137/4885MMP13 3433/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 KMT2A 812/4885MEN1 4137/4885MMP13 3433/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 KMT2A 897/4885MEN1 4182/4885MMP13 3564/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 KMT2A 812/4885MEN1 4137/4885MMP13 3433/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 KMT2A 812/4885MEN1 4137/4885MMP13 3433/4885

“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.