SCHEMBL4860078

SCHEMBL4860078

O=S(=O)(O)Cc1ccc(I)cc1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
CYP3A4 P08684 2/20 0.37
IDO1 P14902 2/20 0.37
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APP P05067 3/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPMT P51580 1/20 0.34
CA9 Q16790 1/20 0.34
RXRA P19793 1/20 0.34

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
SCHEMBL3126969 0.98 CA1 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL8474031 0.85 CA2 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL9000869 0.77 EGFR (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL9843447 0.77 CA1 (0.33) CA1CA2MMP1MMP2MMP9
SCHEMBL4680120 0.77 KMT2A (0.52) CA1CA2IDO1LMNACA9
SCHEMBL5105672 0.77 LMNA (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL4371994 0.76 ABAT (0.50) CA1CA2CYP3A4IDO1LMNA
Phenylmethanesulfonic Acid SCHEMBL589697 0.76 CA2 (0.56) CA1CA2MMP1MMP2MMP9
Phenylmethanesulfonic Acid SCHEMBL16034407 0.76 CA2 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL259654 0.76 CA2 (0.52) CA1CA2MMP1MMP2MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442837-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 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-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 CA1 4866/4885CA2 3533/4885MMP1 3921/4885

“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.