SCHEMBL4242934

SCHEMBL4242934

COC(=O)C(NC(=O)OCc1ccccc1)C(CCc1ccc(Br)cc1)SCc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ALDH1A1 P00352 2/20 0.44
KLK8 O60259 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
KLK2 P20151 1/20 0.42
KLK4 Q9Y5K2 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CTSL P07711 3/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSD P07339 1/20 0.41
KMT2A Q03164 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL4245571 0.95 ATM (0.53) ATMALDH1A1KLK8F2F10
SCHEMBL4248093 0.95 ATM (0.53) ATMALDH1A1KLK8F2F10
SCHEMBL2855674 0.94 ATM (0.51) ATMALDH1A1KLK8F2F10
SCHEMBL2849807 0.89 ATM (0.55) ATMALDH1A1KLK8F2F10
SCHEMBL2853770 0.89 ATM (0.55) ATMALDH1A1KLK8F2F10
SCHEMBL2875084 0.89 ATM (0.55) ATMALDH1A1KLK8F2F10
SCHEMBL4251702 0.88 ATM (0.48) ATMALDH1A1KLK8F2F10
SCHEMBL4249993 0.85 ATM (0.55) ATMALDH1A1F2TRPM8HDAC8
SCHEMBL2852510 0.84 ATM (0.44) ATMALDH1A1KLK8F2F10
SCHEMBL4245909 0.83 ATM (0.57) ATMALDH1A1TRPM8HDAC8L3MBTL1

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 1309/4885ALDH1A1 224/4885KLK8 3350/4885

“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.