SCHEMBL25617801

SCHEMBL25617801

CCCN(CCOS(C)(=O)=O)c1c(C)cc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(O)CO)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL21416266 0.97 NPC1 (0.40) NPC1L3MBTL1MAPTLMNAHTT
SCHEMBL23245124 0.93 NPC1 (0.37) NPC1L3MBTL1MAPTLMNAHTT
SCHEMBL21410614 0.93 NPC1 (0.37) NPC1L3MBTL1MAPTLMNAHTT
SCHEMBL25618130 0.90 NPC1 (0.37) NPC1L3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL25617799 0.88 ALDH1A1 (0.40) L3MBTL1MAPTLMNAHTTSMN1; SMN2
SCHEMBL25617795 0.88 MAPT (0.44) L3MBTL1MAPTLMNAHTTSMN1; SMN2
SCHEMBL25617606 0.87 NPC1 (0.43) NPC1L3MBTL1MAPTLMNAHTT
SCHEMBL21410487 0.86 NPC1 (0.37) NPC1L3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL25619979 0.86 L3MBTL1 (0.41) NPC1L3MBTL1MAPTLMNAHTT
SCHEMBL21410316 0.86 NPC1 (0.37) NPC1L3MBTL1MAPTHTTSMN1; SMN2

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-11661404-B2 Prodrug compounds activated by AKR1C3 and their use for treating hyperproliferative disorders ACHILLES MEDICAL LIMITED (NZ) 2023-05-30 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-11661404-B2 Prodrug compounds activated by AKR1C3 and their use for treating hyperproliferative disorders AKR1C2, AKR1C1, AKR1B1 NPC1 1212/4885L3MBTL1 4126/4885MAPT 4673/4885

“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.