SCHEMBL4806731

SCHEMBL4806731

O=C(OCc1ccccc1)C1(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.53
GRM5 P41594 1/20 0.47
CYP3A4 P08684 1/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
ADAM10 O14672 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
TP53 P04637 2/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GFER P55789 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
SCHEMBL4808185 0.83 ADAMTS4 (0.63) ADAMTS4CYP3A4LMNAPOLBADAM10
SCHEMBL4816291 0.79 ADAMTS4 (0.60) ADAMTS4CYP3A4LMNAPOLBADAM10
SCHEMBL4817295 0.76 KMT2A (0.45) MMP1MMP13NPSR1
SCHEMBL6782185 0.73 ADAMTS4 (0.49) ADAMTS4CYP3A4LMNAPOLBADAM10
SCHEMBL4815246 0.72 MMP13 (0.50) ADAMTS4GRM5CYP3A4LMNAPOLB
SCHEMBL22294005 0.70 KMT2A (0.52) NPSR1
SCHEMBL3294615 0.70 KMT2A (0.49) NPSR1
SCHEMBL6786249 0.70 ADAMTS4 (0.47) ADAMTS4CYP3A4LMNAPOLBADAM10
SCHEMBL14252789 0.69 ADAMTS4 (1.00) ADAMTS4CYP3A4MMP2MMP9MMP13
SCHEMBL7167581 0.69 GRM5 (0.49) ADAMTS4GRM5LMNAPOLBTP53

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-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
US-6734184-B1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-05-11 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 38/4885GRM5 1164/4885CYP3A4 328/4885

“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.