SCHEMBL2155405

SCHEMBL2155405

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(O)(O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.67
▸ GPBAR1 Q8TDU6 3/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ AKR1B10 O60218 2/20 0.67
▸ AKR1B1 P15121 2/20 0.67
▸ EFNA1 P20827 1/20 0.67
▸ PSEN1 P49768 1/20 0.67
▸ PSEN2 P49810 1/20 0.67
▸ APH1B Q8WW43 1/20 0.67
▸ NCSTN Q92542 1/20 0.67
▸ APH1A Q96BI3 1/20 0.67
▸ PSENEN Q9NZ42 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ OSBP P22059 1/20 0.59
▸ OSBP2 Q969R2 1/20 0.59
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56

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
SCHEMBL28514223 1.00 EPHA2 (0.67) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL1954584 0.91 EPHA2 (0.66) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL31001156 0.88 EPHA2 (0.52) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL11785013 0.88 OSBP (0.75) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL11524136 0.88 OSBP (0.75) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL11571094 0.88 OSBP (0.75) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL28731645 0.88 OSBP (0.75) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL30526156 0.88 GPBAR1 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL19866272 0.88 CYP2D6 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL14676689 0.88 CYP2D6 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267139-A1 ARIMOCLOMOL FOR THE TREATMENT OF NIEMANN PICK DISEASE, TYPE C, IN PATIENTS WITH ER TYPE MISSENSE MUTATIONS Zevra Denmark A/S (DK) 2023-11-01 — — EP claimed
WO-2022136640-A1 ARIMOCLOMOL FOR THE TREATMENT OF NIEMANN PICK DISEASE, TYPE C, IN PATIENTS WITH ER TYPE MISSENSE MUTATIONS ORPHAZYME A/S (DK) 2022-06-30 — — WO claimed
EP-4608399-A1 ARIMOCLOMOL COMPOSITIONS FOR USE IN TREATING NIEMANN PICK DISEASE TYPE C (NPC) Zevra Denmark A/S (DK) 2025-09-03 — — EP disclosed
US-20240115558-A1 ARIMOCLOMOL FOR THE TREATMENT OF NIEMANN PICK DISEASE, TYPE C, IN PATIENTS WITH ER TYPE MISSENSE MUTATIONS KEMPHARM DENMARK A/S (DK) 2024-04-11 — — US disclosed
EP-4267139-A1 ARIMOCLOMOL FOR THE TREATMENT OF NIEMANN PICK DISEASE, TYPE C, IN PATIENTS WITH ER TYPE MISSENSE MUTATIONS Zevra Denmark A/S (DK) 2023-11-01 — — EP disclosed
US-20230051742-A1 TREATMENT OF LATE-ONSET NEURODEGENERATIVE DISEASES IN HETEROZYGOUS NPC1 GENE MUTATION CARRIERS Intrabio Ltd. (GB) 2023-02-16 — — US disclosed
US-20220211687-A1 USE OF ARIMOCLOMOL IN THE TREATMENT OF NIEMANN PICK DISEASE Zevra Denmark A/S (DK) 2022-07-07 — — US disclosed
WO-2022136640-A1 ARIMOCLOMOL FOR THE TREATMENT OF NIEMANN PICK DISEASE, TYPE C, IN PATIENTS WITH ER TYPE MISSENSE MUTATIONS ORPHAZYME A/S (DK) 2022-06-30 — — WO disclosed
US-11313866-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2022-04-26 — — US disclosed
US-10514383-B2 Diagnosis and treatment of neonatal encephalopathy INFANDX AG (DE) 2019-12-24 — — US disclosed
US-20180011111-A1 Method of Diagnosing and Treating Asphyxia INFANDX AG (DE) 2018-01-11 — — US disclosed
US-9791459-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2017-10-17 — — US disclosed
US-9085602-B1 Facial amphiphiles and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2015-07-21 — — US disclosed
US-20140308687-A1 Method and Use of Metabolites for the Diagnosis and Differentiation of Neonatal Encephalopathy INFANDX AG (DE) 2014-10-16 — — US disclosed
EP-2771696-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY InfanDx AG (DE) 2014-09-03 — — EP disclosed
WO-2013060788-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY INFANDX AG (DE) 2013-05-02 — — WO disclosed
US-20120136581-A1 Method of Diagnosing Asphyxia BIOCRATES LIFE SCIENCES AG (AT) 2012-05-31 — — US disclosed
WO-2011080184-A1 USE OF ENDOGENOUS METABOLITES FOR EARLY DIAGNOSING SEPSIS BIOCRATES LIFE SCIENCES AG (AT) 2011-07-07 — — WO 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-20240115558-A1 ARIMOCLOMOL FOR THE TREATMENT OF NIEMANN PICK DISEASE, TYPE C, IN PATIENTS WITH ER TYPE MISSENSE MUTATIONS NPC1, NPC1L1, CHERP EPHA2 4564/4885GPBAR1 512/4885HSD17B10 2122/4885
US-20220211687-A1 USE OF ARIMOCLOMOL IN THE TREATMENT OF NIEMANN PICK DISEASE NPC1, NPC1L1, GBA1 EPHA2 4529/4885GPBAR1 2079/4885HSD17B10 1271/4885

“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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