SCHEMBL21875175

SCHEMBL21875175

COc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)cn3)c2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.49
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGDS O60760 3/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ P2RX3 P56373 2/20 0.39
▸ P2RX2 Q9UBL9 2/20 0.39

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
SCHEMBL21875180 0.92 KLKB1 (0.50) KLKB1MAPTALDH1A1TSHRNPSR1
SCHEMBL21875114 0.90 KLKB1 (0.47) KLKB1MAPTALDH1A1TSHRNPSR1
SCHEMBL21875168 0.90 KLKB1 (0.47) KLKB1MAPTALDH1A1TSHRNPSR1
SCHEMBL21875164 0.86 KLKB1 (0.60) KLKB1MAPTALDH1A1TSHRNPSR1
SCHEMBL21875100 0.80 WDR5 (0.46) P2RX3P2RX2
SCHEMBL21875172 0.80 WDR5 (0.44) KLKB1ALDH1A1NAMPTP2RX3P2RX2
SCHEMBL21875087 0.80 P2RX3 (0.44) KLKB1MAPTNAMPTP2RX3P2RX2
SCHEMBL21875162 0.78 WDR5 (0.45) KLKB1MAPTALDH1A1HPGDNAMPT
SCHEMBL21875108 0.78 PKM (0.52) KLKB1NAMPTP2RX3P2RX2
SCHEMBL21875069 0.78 NAMPT (0.48) KLKB1NAMPTP2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113056461-A Arylsulfonyl pyrrole carboxamide derivatives as Kv3 potassium channel activators H.隆德贝克有限公司 2021-06-29 — — CN claimed
US-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-04-30 — — US claimed
CN-113056461-A Arylsulfonyl pyrrole carboxamide derivatives as Kv3 potassium channel activators H.隆德贝克有限公司 2021-06-29 — — CN disclosed
US-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-04-30 — — US disclosed
US-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-04-30 — — 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 (1 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-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS KCNA3, KCNN3, KCNK3 KLKB1 784/4885MAPT 3271/4885ALDH1A1 4451/4885

“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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