SCHEMBL2587963

SCHEMBL2587963

COc1cccc2c1Nc1c(OC)cccc1S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
HTR5A P47898 2/20 0.41
HTR2C P28335 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR7 P34969 1/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
NOX1 Q9Y5S8 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL105775 0.87 NOX1 (0.53) CA1CA2CA7CA9CA12
SCHEMBL18953724 0.76 CREBBP (0.39) CA1CA2CA7CA9CA12
SCHEMBL18953529 0.74 HTR5A (0.39) CA1CA2CA7CA9CA12
SCHEMBL10592119 0.74 PDE4B (0.34) HTR5AHTR2CHTR1AHTR1DHTR7
SCHEMBL29636443 0.73 BCHE (0.42) CA1CA2CA7CA9CA12
SCHEMBL2587087 0.73 BCHE (0.42) CA1CA2CA7CA9CA12
SCHEMBL28637871 0.71
Iodide SCHEMBL13386176 0.71 BCHE (0.41) CA1CA2CA7CA9CA12
SCHEMBL2417535 0.71 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL32667391 0.71 CA1 (0.48) CA1CA2CA7CA9CA12

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
EP-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 EP disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 US disclosed
EP-2585073-A1 ANTIVIRAL COMPOUNDS Prostetta Antiviral Inc. (US) 2013-05-01 EP disclosed
CN-102958525-A Antiviral compounds PROSTETTA ANTIVIRAL INC 2013-03-06 CN disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 US disclosed
WO-2011137447-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2011-11-03 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-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 CA1 656/4885CA2 1224/4885CA7 772/4885

“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.