SCHEMBL4249469

SCHEMBL4249469

O=S(=O)(Nc1ccccc1)c1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.86
MMP9 P14780 3/20 0.86
MMP8 P22894 3/20 0.86
MMP13 P45452 2/20 0.86
MAPT P10636 8/20 0.63
TP53 P04637 6/20 0.63
SMN1; SMN2 Q16637 6/20 0.59
COMT P21964 1/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
CHEK2 O96017 1/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
ATM Q13315 1/20 0.55
HSD17B10 Q99714 2/20 0.54

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
SCHEMBL16148237 0.87 MMP2 (0.76) MMP2MMP9MMP8MMP13MAPT
SCHEMBL17498813 0.83 MMP2 (0.83) MMP2MMP9MMP8MMP13MAPT
SCHEMBL17498823 0.81 MMP2 (0.71) MMP2MMP9MMP8MMP13MAPT
SCHEMBL16147276 0.81 MMP2 (0.78) MMP2MMP9MMP8MMP13MAPT
SCHEMBL16147075 0.81 MMP2 (0.78) MMP2MMP9MMP8MMP13MAPT
SCHEMBL17498766 0.79 MMP2 (0.71) MMP2MMP9MMP8MMP13MAPT
SCHEMBL17498759 0.79 MMP2 (0.74) MMP2MMP9MMP8MMP13MAPT
SCHEMBL17498751 0.79 MMP2 (0.67) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4562905 0.77 MMP2 (0.56) MMP2MMP9MMP8MMP13MAPT
SCHEMBL17498726 0.77 MMP2 (0.64) MMP2MMP9MMP8MMP13MAPT

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-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER INC. 2009-04-30 US disclosed
EP-1855686-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Pfizer Limited (GB) 2007-11-21 EP disclosed
WO-2006092691-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 WO disclosed
WO-2006092692-A1 USE OF COMBINATIONS OF PDE7 INHIBITORS AND ALPHA-2-DELTY LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 WO 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-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PDE7A, PDE7B, PDE3A MMP2 420/4885MMP9 477/4885MMP8 171/4885

“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.