SCHEMBL29808253

SCHEMBL29808253

Cc1cccc(S(=O)(=O)n2ccc(C(=O)NCc3cc(C)no3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GRM4 Q14833 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FBP1 P09467 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
SCHEMBL22588752 1.00 NPC1 (0.41) NPC1RAB9AGRM4POLBUSP2
SCHEMBL24620566 0.91 TDP1 (0.44) NPC1RAB9APOLBUSP2TDP1
SCHEMBL22588738 0.89 NPC1 (0.41) NPC1RAB9APOLBUSP2TDP1
SCHEMBL24620637 0.85 THRB (0.45) NPC1RAB9APOLBUSP2ALOX15
SCHEMBL22588832 0.83 RAB9A (0.47) NPC1RAB9APOLBTDP1MAPT
SCHEMBL22588736 0.83 TDP1 (0.41) NPC1RAB9APOLBUSP2TDP1
SCHEMBL29808123 0.83 TDP1 (0.41) NPC1RAB9APOLBUSP2TDP1
SCHEMBL24620647 0.80 GRM4 (0.41) NPC1RAB9AGRM4ALOX15AKR1C3
SCHEMBL29808360 0.80 GRM4 (0.41) NPC1RAB9AGRM4ALOX15AKR1C3
SCHEMBL24620537 0.80 GRM4 (0.43) GRM4POLBALOX15AKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NPC1 1024/4885RAB9A 938/4885GRM4 498/4885

“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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