SCHEMBL2580348

SCHEMBL2580348

C[C@@H]1CCC[C@H](OS(C)(=O)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MCHR1 Q99705 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL2580350 1.00 ACHE (0.34) ACHECA1CA2MCHR1RAB9A
SCHEMBL2580352 1.00 ACHE (0.34) ACHECA1CA2MCHR1RAB9A
SCHEMBL25937220 0.87 CYP19A1 (0.33)
SCHEMBL2589380 0.87 CYP19A1 (0.33)
SCHEMBL10641820 0.87 CA1 (0.39) ACHECA1CA2
SCHEMBL4327520 0.87 CA1 (0.39) ACHECA1CA2
SCHEMBL10641815 0.87 CA1 (0.39) ACHECA1CA2
SCHEMBL3815211 0.82
SCHEMBL28284766 0.80 CA1 (0.32) CA1CA2MCHR1
SCHEMBL18591915 0.80 USP2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
EP-2566867-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2013-03-13 EP disclosed
WO-2011134831-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS JAK1, JAK3, JAK2 ACHE 3858/4885CA1 4252/4885CA2 3783/4885

“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.