SCHEMBL611145

SCHEMBL611145

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCCO)c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 19/20 0.80
FKBP5 Q13451 8/20 0.80
FKBP4 Q02790 7/20 0.80

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
SCHEMBL15294276 1.00 FKBP1A (0.80) FKBP1AFKBP5FKBP4
SCHEMBL10027163 0.98 FKBP1A (0.78) FKBP1AFKBP5FKBP4
SCHEMBL29377078 0.96 FKBP1A (0.85) FKBP1AFKBP5FKBP4
SCHEMBL26026938 0.96 FKBP1A (0.85) FKBP1AFKBP5FKBP4
SCHEMBL13240345 0.96 FKBP1A (0.85) FKBP1AFKBP5FKBP4
SCHEMBL15294286 0.94 FKBP1A (0.79) FKBP1AFKBP5FKBP4
SCHEMBL15297184 0.94 FKBP1A (0.79) FKBP1AFKBP5FKBP4
SCHEMBL15297156 0.94 FKBP1A (0.79) FKBP1AFKBP5FKBP4
SCHEMBL15294282 0.94 FKBP1A (0.79) FKBP1AFKBP5FKBP4
SCHEMBL10027139 0.94 FKBP1A (0.79) FKBP1AFKBP5FKBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261023-A1 SMALL MOLECULE PRINTING DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-10-03 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
WO-2010077317-A2 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. (US) 2010-07-08 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-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP FKBP1A 1184/4885FKBP5 1835/4885FKBP4 2298/4885

“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.