SCHEMBL4249993

SCHEMBL4249993

COC(=O)C(NC(=O)OCc1ccccc1)C(Cc1ccccc1)SCc1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.53
CTSK P43235 3/20 0.50
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
CTSD P07339 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F2 P00734 1/20 0.47
EPHX1 P07099 1/20 0.46
CTRB1 P17538 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL2851655 0.94 ATM (0.57) ATMTRPM8CTSKCTSLCTSS
SCHEMBL4245571 0.90 ATM (0.53) ATMTRPM8CTSKCTSLCTSS
SCHEMBL4248093 0.90 ATM (0.53) ATMTRPM8CTSKCTSLCTSS
SCHEMBL4245909 0.87 ATM (0.57) ATMTRPM8CTSKCTSLCTSS
SCHEMBL4242934 0.85 ATM (0.48) ATMTRPM8CTSKCTSLCTSS
SCHEMBL4244192 0.85 ATM (0.60) ATMTRPM8CTSKCTSLCTSS
SCHEMBL4251702 0.85 ATM (0.48) ATMTRPM8CTSKCTSLCTSS
SCHEMBL2849807 0.83 ATM (0.55) ATMCTSKCTSLCTSSCTSD
SCHEMBL2853770 0.83 ATM (0.55) ATMCTSKCTSLCTSSCTSD
SCHEMBL2875084 0.83 ATM (0.55) ATMCTSKCTSLCTSSCTSD

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 1309/4885TRPM8 2698/4885CTSK 4816/4885

“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.