SCHEMBL3247748

SCHEMBL3247748

O=S(=O)(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.62
CA1 P00915 4/20 0.52
CA9 Q16790 2/20 0.52
FAAH O00519 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
ELANE P08246 1/20 0.52
PRTN3 P24158 1/20 0.52
PRSS3 P35030 1/20 0.52
CA5A P35218 1/20 0.52
MMP13 P45452 2/20 0.50
MMP12 P39900 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
IDO1 P14902 1/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL10133067 0.90 MMP13 (0.65) CA2CA1CA9FAAHPRSS1
SCHEMBL302785 0.88 CA2 (0.69) CA2CA1CA9FAAHPRSS1
SCHEMBL15686580 0.87 CA2 (0.65) CA2CA1CA9FAAHPRSS1
SCHEMBL14495267 0.84 CA2 (0.77) CA2CA1CA9FAAHPRSS1
SCHEMBL88641 0.83 CA2 (0.64) CA2CA1CA9FAAHPRSS1
SCHEMBL6750292 0.82 CA2 (0.52) CA2CA1CA9FAAHPRSS1
SCHEMBL4175756 0.82 CA2 (0.62) CA2CA1CA9MMP13MMP12
SCHEMBL28332352 0.80 CA2 (0.61) CA2CA1CA9FAAHPRSS1
Hydrochloric Acid SCHEMBL11574583 0.80 CA2 (0.61) CA2CA1CA9FAAHPRSS1
SCHEMBL10482000 0.80 CA1 (0.50) CA2CA1CA9FAAHPRSS1

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CA2 1149/4885CA1 2629/4885CA9 828/4885

“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.