SCHEMBL7689816

SCHEMBL7689816

COc1ccc(S(=O)(=O)N2CCNCC2C(=O)OCc2ccccc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.51
MMP1 P03956 4/20 0.48
MMP9 P14780 4/20 0.48
MMP3 P08254 3/20 0.48
MMP7 P09237 3/20 0.48
MMP13 P45452 3/20 0.48
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
FKBP5 Q13451 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL14348088 0.85 FKBP1A (0.56) FKBP1AMMP1MMP9MMP3MMP7
SCHEMBL7683521 0.84 MMP1 (0.56) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7683529 0.84 MMP1 (0.56) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7690350 0.81 MMP1 (0.54) FKBP1AMMP1MMP9MMP3MMP7
SCHEMBL2439342 0.79 MMP1 (0.48) FKBP1AMMP1MMP9MMP3MMP7
Hydrochloric Acid SCHEMBL2439344 0.79 MMP1 (0.47) FKBP1AMMP1MMP9MMP3MMP7
Hydrochloric Acid SCHEMBL2439341 0.79 MMP1 (0.47) FKBP1AMMP1MMP9MMP3MMP7
SCHEMBL7687390 0.78 MMP1 (0.64) FKBP1AMMP1MMP9MMP3MMP7
SCHEMBL7684949 0.74 MMP1 (0.50) FKBP1AMMP1MMP9MMP3MMP7
SCHEMBL29072821 0.73 HTR2C (0.50) FKBP1AALDH1A1

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 FKBP1A 2904/4885MMP1 3802/4885MMP9 2228/4885

“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.