SCHEMBL23245124

SCHEMBL23245124

Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(CC(O)CO)CC2)c1N(CCBr)CCOS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 6/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
HSP90AB1 P08238 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL21410614 1.00 NPC1 (0.37) NPC1L3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL21416266 0.96 NPC1 (0.40) NPC1L3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL21410316 0.93 NPC1 (0.37) NPC1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL23245129 0.93 NPC1 (0.37) NPC1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL25617801 0.93 NPC1 (0.39) NPC1L3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL21410465 0.93 NPC1 (0.40) NPC1L3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL23245100 0.90 NPC1 (0.35) NPC1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL21410344 0.90 NPC1 (0.35) NPC1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL25618069 0.90 NPC1 (0.35) NPC1L3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL25617730 0.89 ALDH1A1 (0.39) L3MBTL1HTTSMN1; SMN2LMNAMAPT

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
US-11661404-B2 Prodrug compounds activated by AKR1C3 and their use for treating hyperproliferative disorders ACHILLES MEDICAL LIMITED (NZ) 2023-05-30 US claimed
US-20210115002-A1 PRODRUG COMPOUNDS ACTIVATED BY AKR1C3 AND THEIR USE FOR TREATING HYPERPROLIFERATIVE DISORDERS ACHILLES MEDICAL LIMITED (NZ) 2021-04-22 US claimed
CN-111918864-A Prodrug compounds activated by AKR1C3 and their use to treat hyperproliferative disorders 阿基利斯医疗有限公司 2020-11-10 CN claimed
CN-111918864-B Prodrug compounds activated by AKR1C3 and their use for the treatment of hyperproliferative disorders 阿基利斯医疗有限公司 2024-03-05 CN disclosed
US-11661404-B2 Prodrug compounds activated by AKR1C3 and their use for treating hyperproliferative disorders ACHILLES MEDICAL LIMITED (NZ) 2023-05-30 US disclosed
US-11661404-B2 Prodrug compounds activated by AKR1C3 and their use for treating hyperproliferative disorders ACHILLES MEDICAL LIMITED (NZ) 2023-05-30 US disclosed
US-20210115002-A1 PRODRUG COMPOUNDS ACTIVATED BY AKR1C3 AND THEIR USE FOR TREATING HYPERPROLIFERATIVE DISORDERS ACHILLES MEDICAL LIMITED (NZ) 2021-04-22 US disclosed
CN-111918864-A Prodrug compounds activated by AKR1C3 and their use to treat hyperproliferative disorders 阿基利斯医疗有限公司 2020-11-10 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 (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-11661404-B2 Prodrug compounds activated by AKR1C3 and their use for treating hyperproliferative disorders AKR1C2, AKR1C1, AKR1B1 NPC1 1212/4885L3MBTL1 4126/4885HTT 4808/4885
US-20210115002-A1 PRODRUG COMPOUNDS ACTIVATED BY AKR1C3 AND THEIR USE FOR TREATING HYPERPROLIFERATIVE DISORDERS AKR1C2, AKR1C1, AKR1B1 NPC1 1212/4885L3MBTL1 4126/4885HTT 4808/4885

“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.