SCHEMBL11996290

SCHEMBL11996290

COc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1-c1cccc([NH+]([O-])O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ CA12 O43570 12/20 0.50
▸ CA9 Q16790 11/20 0.50
▸ CA1 P00915 3/20 0.50
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49
▸ CA2 P00918 3/20 0.49
▸ HTR1A P08908 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ ELANE P08246 1/20 0.46
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL16302105 0.84 CA12 (0.68) GAACA12CA9CA1HDAC4
SCHEMBL8033863 0.83 GAA (0.57) GAACA12CA9CA1HDAC4
SCHEMBL13865506 0.82 CA12 (0.72) GAACA12CA9CA1HDAC4
SCHEMBL13578412 0.78 PDE4B (0.41) HDAC4HDAC8HTR7
SCHEMBL10440258 0.74 PDE4B (0.42) KMT2A
SCHEMBL10440089 0.74 PDE4D (0.40) HDAC4HDAC8HTR1AHTR7
SCHEMBL13578407 0.74 PDE4B (0.48) HTR7KMT2A
SCHEMBL24579678 0.71 HDAC1 (0.76) GAACA12CA9CA1HDAC4
SCHEMBL13578418 0.71 PDE4D (0.41) HDAC4HDAC8HTR7
SCHEMBL13578414 0.71 HDAC4 (0.41) HDAC4HDAC8HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 — — 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-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B GAA 685/4885CA12 3091/4885CA9 922/4885

“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.

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