SCHEMBL1665915

SCHEMBL1665915

O=Cc1ccc(OC(=O)N2CCOC2=O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AOX1 Q06278 1/20 0.35
▸ NAAA Q02083 6/20 0.35
▸ FAAH O00519 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL1667865 0.85 ALDH1A3 (0.43) ALDH1A1AOX1NAAAFAAHKMT2A
SCHEMBL1665131 0.80 TP53 (0.55) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1668216 0.79 NAAA (0.45) ALDH1A1NAAAFAAHKDM4EKMT2A
SCHEMBL1667790 0.78 KMT2A (0.47) ALDH1A1NAAAFAAHMEN1MAPT
SCHEMBL1665893 0.76 TP53 (0.45) ALDH1A1SMN1; SMN2NAAAFAAHMEN1
SCHEMBL1665851 0.75 FAAH (0.37) NAAAFAAH
SCHEMBL1665134 0.75 NAAA (0.39) ALDH1A1NAAAFAAHMAPTHTT
SCHEMBL1665656 0.75 NAAA (0.40) SMN1; SMN2NAAAFAAH
SCHEMBL1665934 0.75 NAAA (0.42) ALDH1A1SMN1; SMN2NAAAFAAHKDM4E
SCHEMBL1665626 0.73 ALDH1A1 (0.43) ALDH1A1NAAAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493905-B1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT CO LLC (PR) 2016-11-30 — — EP disclosed
US-8822435-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-09-02 — — US disclosed
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2014-07-10 — — US disclosed
US-8710215-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-04-29 — — US disclosed
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2013-02-07 — — US disclosed
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 — — US disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 — — EP disclosed
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 — — WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 — — 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 (3 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-20140194389-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885SMN1; SMN2 2670/4885AOX1 3730/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885SMN1; SMN2 2670/4885AOX1 3730/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885SMN1; SMN2 2670/4885AOX1 3730/4885

“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.

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