SCHEMBL20773000

SCHEMBL20773000

CS(=O)(=O)NC(=O)c1ccc(COc2cccc(Br)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ BCL2L1 Q07817 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ CASP3 P42574 2/20 0.45
▸ SENP7 Q9BQF6 2/20 0.45
▸ MAPK1 P28482 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
SCHEMBL20773002 0.82 MAPT (0.62) RXFP1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL20772616 0.80 RXRA (0.57) MRGPRX4HPGDPTGER1
SCHEMBL16239959 0.79 KDM4E (0.71) MRGPRX4HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL16239902 0.79 HDAC6 (0.56) MRGPRX4HDAC6LMNAMEN1KMT2A
SCHEMBL366812 0.78 MAOB (0.63) RXFP1LMNAMEN1KMT2AMAPT
SCHEMBL20773035 0.76 SMPD1 (0.58) MRGPRX4MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28410264 0.74 SCN9A (0.48) MRGPRX4RXFP1LMNAMEN1KMT2A
SCHEMBL680720 0.74 EZH2 (0.58) MRGPRX4HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL14892906 0.74 HDAC6 (0.51) MRGPRX4RXFP1HDAC6LMNAKMT2A
SCHEMBL20772786 0.73 SCN9A (0.42) MRGPRX4BCL2L1MCL1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11020381-B2 Biaryloxy derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2021-06-01 — — US disclosed
US-11020381-B2 Biaryloxy derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2021-06-01 — — US disclosed
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2020-07-23 — — US disclosed
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2020-07-23 — — US disclosed
EP-3676248-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc. (JP) 2020-07-08 — — EP disclosed
CN-111132961-A Bisaryloxy derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 — — CN disclosed
WO-2019045035-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2019-03-07 — — 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 (2 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-11020381-B2 Biaryloxy derivatives as TTX-S blockers SCN1B, SCN3A, SCN2B MRGPRX4 1461/4885RXFP1 3573/4885HDAC6 294/4885
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN3A, SCN2B MRGPRX4 1461/4885RXFP1 3573/4885HDAC6 294/4885

“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.

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