SCHEMBL4816291

SCHEMBL4816291

O=C(NO)C1(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.60
MMP2 P08253 9/20 0.55
MMP9 P14780 7/20 0.55
MMP3 P08254 3/20 0.55
ADAM10 O14672 3/20 0.55
MMP1 P03956 1/20 0.55
MMP13 P45452 9/20 0.51
CYP3A4 P08684 1/20 0.51
MMP14 P50281 3/20 0.49
MMP8 P22894 2/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 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
SCHEMBL6782627 0.90 MMP2 (0.56) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL12152323 0.89 MMP2 (0.61) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL4808185 0.87 ADAMTS4 (0.63) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL6783061 0.85 MMP2 (0.45) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL6785924 0.83 MMP2 (0.52) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL6787148 0.82 MMP2 (0.51) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL6787212 0.81 MMP2 (0.51) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL7248756 0.79 MMP2 (0.52) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL4806731 0.79 ADAMTS4 (0.53) ADAMTS4MMP2MMP9MMP3ADAM10
SCHEMBL6782185 0.78 ADAMTS4 (0.49) ADAMTS4MMP2MMP9MMP3ADAM10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
EP-1109787-B1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2006-05-17 EP disclosed
US-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-09-02 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-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) MMP13, MMP25, MMP3 ADAMTS4 38/4885MMP2 6/4885MMP9 14/4885

“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.