SCHEMBL24071815

SCHEMBL24071815

CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3cc(S(=O)(=O)N(CC)CC)ccc3c2)C1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.83
NPC1 O15118 1/20 0.83
NR2F2 P24468 1/20 0.83
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.65
CYP2C19 P33261 1/20 0.64
GAA P10253 1/20 0.61
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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 1.00 RAB9A (0.83) RAB9ANPC1NR2F2ALDH1A1SMN1; SMN2
SCHEMBL24072152 0.91 RAB9A (0.81) RAB9ANPC1NR2F2ALDH1A1SMN1; SMN2
SCHEMBL24072197 0.91 RAB9A (1.00) RAB9ANPC1NR2F2ALDH1A1SMN1; SMN2
SCHEMBL24072629 0.91 RAB9A (1.00) RAB9ANPC1NR2F2ALDH1A1SMN1; SMN2
SCHEMBL24072159 0.88 RAB9A (0.90) RAB9ANPC1NR2F2ALDH1A1SMN1; SMN2
SCHEMBL24072179 0.88 RAB9A (0.94) RAB9ANPC1NR2F2ALDH1A1SMN1; SMN2
SCHEMBL6791608 0.88 CYP2C19 (0.76) RAB9ANPC1NR2F2ALDH1A1SMN1; SMN2
SCHEMBL24072651 0.87 RAB9A (0.78) RAB9ANPC1NR2F2ALDH1A1SMN1; SMN2
SCHEMBL30292743 0.87 RAB9A (0.78) RAB9ANPC1NR2F2ALDH1A1SMN1; SMN2
SCHEMBL24072663 0.86 RAB9A (0.75) RAB9ANPC1NR2F2ALDH1A1SMN1; 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 3 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
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.