SCHEMBL30488570

SCHEMBL30488570

CCOCOc1cc(C=O)ccc1-c1nnc(NC[C@H]2CCCO2)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.41
ALDH1A1 P00352 12/20 0.39
HPGD P15428 9/20 0.39
GAA P10253 7/20 0.39
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 5/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 5/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 2/20 0.36
RCE1 Q9Y256 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL25294629 1.00 CACNA2D1 (0.41) CACNA2D1ALDH1A1HPGDGAAKDM4E
SCHEMBL25862416 1.00 CACNA2D1 (0.41) CACNA2D1ALDH1A1HPGDGAAKDM4E
SCHEMBL25294628 1.00 CACNA2D1 (0.41) CACNA2D1ALDH1A1HPGDGAAKDM4E
SCHEMBL25862420 0.86 CACNA2D1 (0.42) CACNA2D1ALDH1A1HPGDGAAKDM4E
SCHEMBL25256876 0.86 CACNA2D1 (0.42) CACNA2D1ALDH1A1HPGDGAAKDM4E
SCHEMBL25296656 0.86 CACNA2D1 (0.42) CACNA2D1ALDH1A1HPGDGAAKDM4E
SCHEMBL25862807 0.85 CACNA2D1 (0.44) CACNA2D1ALDH1A1HPGDGAAKDM4E
SCHEMBL30488532 0.83 NLRP3 (0.49) CACNA2D1ALDH1A1HPGDGAAKDM4E
SCHEMBL25300749 0.83 NLRP3 (0.49) CACNA2D1ALDH1A1HPGDGAAKDM4E
SCHEMBL25857425 0.80 ALDH1A1 (0.36) CACNA2D1ALDH1A1HPGDKDM4EMAPT

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
US-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-15 US disclosed
CN-119798221-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2025-04-11 CN disclosed
EP-4461729-A1 ANTIGEN BINDING PROTEIN TARGETING MSLN AND USE THEREOF Transthera Sciences (Nanjing), Inc. (CN) 2024-11-13 EP disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN 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-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF NLRP3, NLRP1, PYCARD CACNA2D1 3026/4885ALDH1A1 3156/4885HPGD 1780/4885

“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.