SCHEMBL7684949

SCHEMBL7684949

COc1ccc(S(=O)(=O)N2CCN(C(=O)COCc3ccccc3)CC2C(=O)O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.50
MMP3 P08254 7/20 0.50
MMP7 P09237 6/20 0.50
MMP9 P14780 6/20 0.50
MMP13 P45452 4/20 0.50
GAA P10253 1/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
MAPT P10636 1/20 0.45
GRM5 P41594 1/20 0.45
FKBP1A P62942 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
POLB P06746 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
SCHEMBL7687390 0.88 MMP1 (0.64) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7683722 0.86 FKBP1A (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7683726 0.86 FKBP1A (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7690366 0.81 MMP1 (0.62) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7683254 0.79 MMP1 (0.64) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7690350 0.78 MMP1 (0.54) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7685731 0.77 MMP1 (0.58) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7685735 0.77 MMP1 (0.58) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7685520 0.77 MMP1 (0.60) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7686447 0.77 MMP1 (0.60) MMP1MMP3MMP7MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128269-A1 Substituted heterocyclic compounds for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-09-12 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 (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-20020128269-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCG2 MMP1 3802/4885MMP3 2583/4885MMP7 1097/4885

“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.