Sugi Predict

Sugi Predict / Compounds / SCHEMBL22600511

SCHEMBL22600511

SCHEMBL22600511

COc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)cn3)n2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGDS O60760 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ GNRHR P30968 1/20 0.37
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL29808176 0.91 ALDH1A1 (0.46) ALDH1A1TSHRNPSR1L3MBTL1CYP1A2
SCHEMBL22588976 0.91 ALDH1A1 (0.46) ALDH1A1TSHRNPSR1L3MBTL1CYP1A2
SCHEMBL29808267 0.91 ALDH1A1 (0.46) ALDH1A1TSHRNPSR1L3MBTL1CYP1A2
SCHEMBL22588767 0.91 ALDH1A1 (0.46) ALDH1A1TSHRNPSR1L3MBTL1CYP1A2
SCHEMBL24620582 0.89 GRM4 (0.44) L3MBTL1GAAEPHX2
SCHEMBL24620542 0.88 HPGDS (0.50) ALDH1A1TSHRNPSR1POLBHPGDS
SCHEMBL22588864 0.87 GRM4 (0.46) ALDH1A1PKMMEN1KMT2AEPHX2
SCHEMBL24620569 0.87 EPHX2 (0.39) ALDH1A1GNRHREPHX2
SCHEMBL29808368 0.87 EPHX2 (0.39) ALDH1A1GNRHREPHX2
SCHEMBL29808192 0.87 GRM4 (0.46) ALDH1A1PKMMEN1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113692405-A Derivatives of N- ((heteroaryl) methyl) -1-tosyl-1H-pyrazole-3-carboxamide as KV3 potassium channel activators for the treatment of neurological or psychiatric disorders H.隆德贝克有限公司 2021-11-23 — — CN claimed
US-20220220095-A1 N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H LUNDBECK AS (DK) 2022-07-14 — — US disclosed
CN-113692405-A Derivatives of N- ((heteroaryl) methyl) -1-tosyl-1H-pyrazole-3-carboxamide as KV3 potassium channel activators for the treatment of neurological or psychiatric disorders H.隆德贝克有限公司 2021-11-23 — — CN disclosed
WO-2020216920-A1 N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS KV3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2020-10-29 — — 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 (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-20220220095-A1 N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS KCNA3, KCNK3, KCND3 ALDH1A1 2663/4885TSHR 1831/4885NPSR1 266/4885

“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.