SCHEMBL1319262

SCHEMBL1319262

Cc1ccc(S(=O)(=O)OC[C@@]2(Cc3ccccc3)CCCN2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.41
NR3C1 P04150 1/20 0.40
FKBP1A P62942 1/20 0.39

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
SCHEMBL82964 0.97 GAA (0.42) GAAPKMCYP2C19NR3C1FKBP1A
SCHEMBL2446970 0.83 KMT2A (0.37) GAAPKMCYP2C19
SCHEMBL20983450 0.83 APP (0.39) CYP2C19
SCHEMBL28310610 0.82 KMT2A (0.43) GAAPKMCYP2C19
SCHEMBL3479164 0.79 STAT3 (0.40) GAAPKMCYP2C19
SCHEMBL3981081 0.77 KMT2A (0.39) GAACYP2C19
SCHEMBL143673 0.77 KMT2A (0.39) GAACYP2C19
SCHEMBL1317731 0.77
SCHEMBL2156930 0.77 GAA (0.39) GAAPKMCYP2C19NR3C1
SCHEMBL10904550 0.76

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-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 GAA 1560/4885PKM 41/4885CYP2C19 2008/4885

“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.