SCHEMBL4813052

SCHEMBL4813052

CC(C)CC(CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.55
MMP14 P50281 3/20 0.55
CYP3A4 P08684 3/20 0.55
TP53 P04637 1/20 0.49
ADAMTS4 O75173 2/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 3/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL4812127 0.87 MMP13 (0.58) MMP13MMP14CYP3A4TP53ADAMTS4
SCHEMBL27482210 0.81 MAPT (0.42) MMP13MMP14CYP3A4MAPTRECQL
SCHEMBL4815246 0.79 MMP13 (0.50) MMP13MMP14CYP3A4TP53ADAMTS4
SCHEMBL4812547 0.77 MEN1 (0.42) MMP13MMP14CYP3A4TP53MAPT
SCHEMBL16495459 0.77 MMP13 (0.47) MMP13MMP14CYP3A4TP53ADAMTS4
SCHEMBL5916477 0.76 MEN1 (0.45) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL5916438 0.75 MAPT (0.44) MMP13MMP14CYP3A4TP53ADAMTS4
SCHEMBL6218902 0.74 PTGDR (0.42) ALDH1A1POLB
SCHEMBL27571160 0.73 ALDH1A1 (0.63) MMP13MMP14CYP3A4ADAMTS4MAPT
SCHEMBL4699547 0.73 MMP13 (0.48) MMP13MMP14CYP3A4TP53ADAMTS4

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 6 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
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 MMP13 1/4885MMP14 10/4885CYP3A4 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.