SCHEMBL24072152

SCHEMBL24072152

CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.81
NPC1 O15118 1/20 0.81
NR2F2 P24468 1/20 0.81
CYP2C19 P33261 1/20 0.72
ALDH1A1 P00352 6/20 0.66
SMN1; SMN2 Q16637 3/20 0.63
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TP53 P04637 1/20 0.58
PKM P14618 1/20 0.57

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
SCHEMBL30292770 0.91 RAB9A (0.83) RAB9ANPC1NR2F2CYP2C19ALDH1A1
SCHEMBL24071815 0.91 RAB9A (0.83) RAB9ANPC1NR2F2CYP2C19ALDH1A1
SCHEMBL24072629 0.90 RAB9A (1.00) RAB9ANPC1NR2F2CYP2C19ALDH1A1
SCHEMBL24072197 0.90 RAB9A (1.00) RAB9ANPC1NR2F2CYP2C19ALDH1A1
SCHEMBL25287256 0.88 ALDH1A1 (0.65) RAB9ANPC1NR2F2CYP2C19ALDH1A1
SCHEMBL25287257 0.88 ALDH1A1 (0.65) RAB9ANPC1NR2F2CYP2C19ALDH1A1
SCHEMBL24072179 0.87 RAB9A (0.94) RAB9ANPC1NR2F2CYP2C19ALDH1A1
SCHEMBL12215903 0.86 CYP2C19 (0.79) RAB9ANPC1NR2F2CYP2C19ALDH1A1
SCHEMBL24072651 0.86 RAB9A (0.78) RAB9ANPC1NR2F2CYP2C19ALDH1A1
SCHEMBL30292743 0.86 RAB9A (0.78) RAB9ANPC1NR2F2CYP2C19ALDH1A1

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-20230212122-A1 MITOCHONDRIAL TARGETING COMPOUNDS FOR THE TREATMENT OF ASSOCIATED DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-06 US disclosed
US-20230212122-A1 MITOCHONDRIAL TARGETING COMPOUNDS FOR THE TREATMENT OF ASSOCIATED DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-06 US disclosed
US-20230212122-A1 MITOCHONDRIAL TARGETING COMPOUNDS FOR THE TREATMENT OF ASSOCIATED DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-06 US disclosed
EP-4157263-A1 MITOCHONDRIAL TARGETING COMPOUNDS FOR THE TREATMENT OF ASSOCIATED DISEASES The Regents Of The University Of Michigan (US) 2023-04-05 EP disclosed
WO-2021242753-A1 MITOCHONDRIAL TARGETING COMPOUNDS FOR THE TREATMENT OF ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-12-02 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 (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-20230212122-A1 MITOCHONDRIAL TARGETING COMPOUNDS FOR THE TREATMENT OF ASSOCIATED DISEASES TFAM, CS, FH RAB9A 839/4885NPC1 1157/4885NR2F2 2589/4885

“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.