SCHEMBL4245909

SCHEMBL4245909

COC(=O)C(NC(=O)OCc1ccccc1)C(C)SCc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
CTSL P07711 4/20 0.49
CTSS P25774 4/20 0.49
CTSK P43235 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ACHE P22303 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
CTSD P07339 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
EPHX1 P07099 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CTSB P07858 1/20 0.45
ELANE P08246 1/20 0.45
CNR2 P34972 1/20 0.44

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
SCHEMBL2877104 0.93 ATM (0.60) ATML3MBTL1CTSLCTSSCTSK
SCHEMBL4244192 0.87 ATM (0.60) ATML3MBTL1CTSLCTSSCTSK
SCHEMBL4249993 0.87 ATM (0.55) ATML3MBTL1CTSLCTSSCTSK
SCHEMBL4248093 0.85 ATM (0.53) ATML3MBTL1CTSLCTSSCTSK
SCHEMBL4245571 0.85 ATM (0.53) ATML3MBTL1CTSLCTSSCTSK
SCHEMBL7616012 0.84 ATM (0.60) ATML3MBTL1CTSLCTSSCTSK
SCHEMBL4242934 0.83 ATM (0.48) ATML3MBTL1CTSLCTSSCTSK
SCHEMBL2851655 0.83 ATM (0.57) ATML3MBTL1CTSLCTSSCTSK
SCHEMBL2851734 0.83 ATM (0.64) ATML3MBTL1CTSLCTSSCTSK
SCHEMBL4251702 0.82 ATM (0.48) ATML3MBTL1CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582797-B2 Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfonates) and compositions comprising the same INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-09-01 US disclosed
US-20060205695-A1 Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same INSTITUT NATINAL DE LA SANTE ET DE LA RECHERECHE (INSERM) (FR) 2006-09-14 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-20060205695-A1 Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same AGTR1, AGTR2, AGT ATM 1309/4885L3MBTL1 4508/4885CTSL 4768/4885

“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.