SCHEMBL1668216

SCHEMBL1668216

O=Cc1ccc(OC(=O)N2CCOC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ FAAH O00519 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL9378454 0.81 NAAA (0.60) NAAAKMT2AFAAHKDM4E
SCHEMBL1665656 0.79 NAAA (0.40) NAAAFAAH
SCHEMBL1665915 0.79 ALDH1A1 (0.39) NAAAALDH1A1KMT2AFAAHKDM4E
SCHEMBL1667865 0.79 ALDH1A3 (0.43) NAAAALDH1A1KMT2AFAAH
SCHEMBL1665893 0.77 TP53 (0.45) NAAAALDH1A1KMT2AFAAH
SCHEMBL1665851 0.76 FAAH (0.37) NAAAFAAH
SCHEMBL1665144 0.76 CYP1A2 (0.68) ALDH1A1KMT2AKDM4ECYP1A2CYP2C9
SCHEMBL6227913 0.75 NAAA (0.47) NAAAFAAH
SCHEMBL1665626 0.74 ALDH1A1 (0.43) NAAAALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL9382818 0.73 NAAA (0.50) NAAAALDH1A1KMT2AFAAHKDM4E

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 NAAA 685/4885ALDH1A1 2404/4885KMT2A 4240/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN NAAA 685/4885ALDH1A1 2404/4885KMT2A 4240/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN NAAA 685/4885ALDH1A1 2404/4885KMT2A 4240/4885

“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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