SCHEMBL4808185

SCHEMBL4808185

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.63
CYP3A4 P08684 2/20 0.54
MMP13 P45452 3/20 0.52
MMP14 P50281 3/20 0.52
AKR1C3 P42330 1/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 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
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6782185 0.88 ADAMTS4 (0.49) ADAMTS4CYP3A4MMP13MMP14AKR1C3
SCHEMBL4816291 0.87 ADAMTS4 (0.60) ADAMTS4CYP3A4MMP13MMP14TP53
SCHEMBL6786249 0.84 ADAMTS4 (0.47) ADAMTS4CYP3A4MMP13MMP14LMNA
SCHEMBL4806731 0.83 ADAMTS4 (0.53) ADAMTS4CYP3A4MMP13MMP14TP53
SCHEMBL6783113 0.80 ADAMTS4 (0.43) ADAMTS4CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL7249415 0.77 POLB (0.44) ADAMTS4CYP3A4MMP13MMP14AKR1C3
SCHEMBL14252789 0.77 ADAMTS4 (1.00) ADAMTS4CYP3A4MMP13MMP14MMP2
SCHEMBL7191289 0.77 MMP2 (0.44) ADAMTS4MMP13MMP14AKR1C3POLB
SCHEMBL6782627 0.77 MMP2 (0.56) ADAMTS4MMP13MMP14AKR1C3ADAM10
SCHEMBL12152323 0.76 MMP2 (0.61) ADAMTS4MMP13MMP14AKR1C3LMNA

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 38/4885CYP3A4 328/4885MMP13 1/4885

“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.