SCHEMBL1723072

SCHEMBL1723072

O=CN1CC(OCC(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
PTGIR P43119 5/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
TSHR P16473 1/20 0.30
CTH P32929 1/20 0.30
CBS P35520 1/20 0.30
THPO P40225 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL1722761 0.82 PDK2 (0.36) PDK2
SCHEMBL1723722 0.79 PDK2 (0.38) PDK2TSHR
SCHEMBL1722878 0.78 PDK2 (0.39) PDK2
SCHEMBL1724091 0.78 PDK2 (0.39) PDK2
SCHEMBL8948689 0.72 CYP3A4 (0.35) PDK2PTGIRITGB3ITGA2B
SCHEMBL1723069 0.72 ITGB3 (0.33) PDK2PTGIRITGB3ITGA2BTSHR
SCHEMBL9194978 0.71
SCHEMBL20179858 0.71 ITGB3 (0.35) PDK2PTGIRITGB3ITGA2B
SCHEMBL8948647 0.71 ATM (0.52) PDK2PTGIRITGB3ITGA2B
SCHEMBL29755709 0.70 ITGB3 (0.40) PTGIRITGB3ITGA2BTSHRCTH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-01 US disclosed
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2019-06-13 US disclosed
US-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-11-19 US disclosed
US-8871934-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-10-28 US disclosed
US-20130274240-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (US) 2013-10-17 US disclosed
US-8343994-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2013-01-01 US disclosed
EP-2345629-A1 FLUORENE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2011-07-20 EP disclosed
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2010-09-23 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 (5 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-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC PDK2 8/4885PTGIR 2041/4885ITGB3 3755/4885
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof FH, PCK2, PC PDK2 8/4885PTGIR 2041/4885ITGB3 3755/4885
US-20130274240-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC PDK2 8/4885PTGIR 2041/4885ITGB3 3755/4885
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC PDK2 8/4885PTGIR 2041/4885ITGB3 3755/4885
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC PDK2 8/4885PTGIR 2041/4885ITGB3 3755/4885

“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.