SCHEMBL5284924

SCHEMBL5284924

CCCN(CC(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.68
CA9 Q16790 8/20 0.59
CA12 O43570 7/20 0.59
CA2 P00918 2/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
ABCC2 Q92887 1/20 0.59
SLC22A12 Q96S37 1/20 0.59
UGT1A7 Q9HAW7 1/20 0.59
SLC22A11 Q9NSA0 1/20 0.59
CA1 P00915 4/20 0.56
KEAP1 Q14145 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NFE2L2 Q16236 1/20 0.50

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
SCHEMBL13267917 0.92 MAPK1 (0.71) MAPK1CA9CA12CA2RAB9A
SCHEMBL16558061 0.91 MAPK1 (0.58) MAPK1CA9CA12CA2RAB9A
SCHEMBL11802279 0.90 MAPK1 (0.71) MAPK1KEAP1GAANFE2L2
SCHEMBL8606028 0.87 CA9 (0.60) MAPK1CA9CA12CA2RAB9A
SCHEMBL5285705 0.86 MAPK1 (0.63) MAPK1SMN1; SMN2KEAP1NFE2L2
SCHEMBL2057514 0.86 CA9 (0.66) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL11598927 0.82 TDP1 (0.58) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL7230825 0.81 CA9 (0.61) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL16558052 0.81 MAPK1 (0.51) MAPK1CA9CA12CA2RAB9A
SCHEMBL13898757 0.80 CA9 (0.56) MAPK1CA9CA12CA2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150071918-A1 PEPTIDES FOR THE TREATMENT OF CANCER UNIVERSITY OF SOUTH FLORIDA 2015-03-12 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
US-4267174-A AND PROCESS FOR ADMINISTERING BOEHRINGER MANNHEIM, GMBH (DE) 1981-05-12 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 (2 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 MAPK1 3183/4885CA9 1224/4885CA12 2695/4885
US-20150071918-A1 PEPTIDES FOR THE TREATMENT OF CANCER CD44, PTK2, SDC1 MAPK1 194/4885CA9 1597/4885CA12 2607/4885

“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.