SCHEMBL245146

SCHEMBL245146

CC(C)(C)[Si](C)(C)Oc1cnc2c(c1)CC(=O)O2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
PREP P48147 2/20 0.39
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL21455385 0.77 CA12 (0.49) CA12CA1CA9PREP
SCHEMBL7414813 0.69 CA12 (0.38) CA12CA1CA9PREP
SCHEMBL26144375 0.66 CA12 (0.37) CA12CA1CA9PREP
SCHEMBL17318153 0.65 CA12 (0.47) CA12CA1CA9PREPHSP90AA1
SCHEMBL25627201 0.64 CA12 (0.38) CA12CA1CA9PREP
SCHEMBL5701810 0.64 MAOB (0.47) CA12CA1CA9PREP
SCHEMBL22079572 0.64 CA12 (0.48) CA12CA1CA9PREPHSP90AA1
SCHEMBL1984913 0.64 CA1 (0.35) CA12CA1CA9PREP
SCHEMBL31026537 0.64 CA12 (0.36) CA12CA1CA9PREP
SCHEMBL16223358 0.63 CA12 (0.40) CA12CA1CA9PREP

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-9540322-B2 MIF modulators YALE UNIVERSITY (US) 2017-01-10 US disclosed
US-20120004261-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-01-05 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-20120004261-A1 MIF MODULATORS MIF, HMGB2, HMGB3 CA12 3086/4885CA1 4164/4885CA9 4220/4885

“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.