SCHEMBL16786136

SCHEMBL16786136

CCc1cccc[n+]1CCCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 1/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL29558509 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL28681971 0.95 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL29251789 0.86 NPC1 (0.39) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL21523381 0.84 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL29252043 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL29251927 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL29251600 0.82 PSIP1 (0.33) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL29559022 0.82 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL9171403 0.82 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL12558659 0.81 NPC1 (0.37) NPC1RAB9ASMN1; SMN2POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114262917-A Electrolytic nickel (alloy) plating solution 日本高纯度化学株式会社 2022-04-01 — — CN claimed
CN-114262917-A Electrolytic nickel (alloy) plating solution 日本高纯度化学株式会社 2022-04-01 — — CN disclosed
CN-109996907-B Electrolytic nickel (alloy) plating solution 日本高纯度化学株式会社 2022-01-11 — — CN disclosed
US-20170281662-A1 POLYCARBONATES BEARING AROMATIC N-HETEROCYCLES FOR DRUG DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-10-05 — — US disclosed
US-9717797-B2 Polycarbonates bearing aromatic N-heterocycles for drug delivery INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-08-01 — — US disclosed
US-9717797-B2 Polycarbonates bearing aromatic N-heterocycles for drug delivery INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-08-01 — — US disclosed
US-20150157723-A1 POLYCARBONATES BEARING AROMATIC N-HETEROCYCLES FOR DRUG DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-06-11 — — US disclosed
US-20150157723-A1 POLYCARBONATES BEARING AROMATIC N-HETEROCYCLES FOR DRUG DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-06-11 — — 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 (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-20150157723-A1 POLYCARBONATES BEARING AROMATIC N-HETEROCYCLES FOR DRUG DELIVERY PAH, SULT1E1, SULT1A1 NPC1 3216/4885RAB9A 2497/4885SMN1; SMN2 1927/4885
US-20170281662-A1 POLYCARBONATES BEARING AROMATIC N-HETEROCYCLES FOR DRUG DELIVERY PAH, SULT1E1, SULT1A1 NPC1 3216/4885RAB9A 2497/4885SMN1; SMN2 1927/4885

“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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