SCHEMBL7151963

SCHEMBL7151963

O=C(O)C1CN(CCCCc2ccccc2)CCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.52
HTR2A P28223 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
AGTR2 P50052 1/20 0.49
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46

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
SCHEMBL2890129 0.85 MMP1 (0.62) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2886117 0.79 MMP1 (0.62) MMP1MMP3MMP7MMP9MMP13
SCHEMBL6498571 0.76 MMP1 (0.55) MMP1MMP3MMP7MMP9MMP13
SCHEMBL6628734 0.75 LMNA (0.51)
SCHEMBL2887777 0.73 MMP1 (0.50) KDM4EMMP1MMP3MMP7MMP9
SCHEMBL16635434 0.73 ALDH1A1 (0.59) KDM4E
SCHEMBL15832928 0.73 ALDH1A1 (0.59) KDM4E
SCHEMBL7559500 0.72 LMNA (0.47) AGTR2
SCHEMBL893543 0.71 ALDH1A1 (0.66) KDM4E
SCHEMBL893545 0.71 ALDH1A1 (0.66) KDM4E

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-20030139419-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2003-07-24 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-20030139419-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 FKBP1A 982/4885HTR2A 127/4885KDM4E 2153/4885

“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.