SCHEMBL1665893

SCHEMBL1665893

O=Cc1ccccc1OC(=O)N1CCOC1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ NAAA Q02083 8/20 0.45
▸ FAAH O00519 7/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAD52 P43351 1/20 0.40

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
SCHEMBL1665934 0.84 NAAA (0.42) TP53NAAAFAAHALDH1A1MAPT
SCHEMBL1665134 0.84 NAAA (0.39) NAAAFAAHALDH1A1MAPTHTT
SCHEMBL1665626 0.82 ALDH1A1 (0.43) TP53NAAAALDH1A1MEN1KMT2A
SCHEMBL9378454 0.78 NAAA (0.60) NAAAFAAHSMN1; SMN2KMT2A
SCHEMBL1668216 0.77 NAAA (0.45) NAAAFAAHALDH1A1KMT2A
SCHEMBL1665915 0.76 ALDH1A1 (0.39) NAAAFAAHALDH1A1MAPTHTT
SCHEMBL1667865 0.76 ALDH1A3 (0.43) NAAAFAAHALDH1A1HPGDKMT2A
SCHEMBL1665656 0.76 NAAA (0.40) NAAAFAAHSMN1; SMN2
SCHEMBL23064630 0.74 SMN1; SMN2 (0.66) TP53PTGDR2ALDH1A1MAPTHPGD
SCHEMBL4646850 0.73 ALDH1A1 (0.55) PTGDR2ALDH1A1MAPTHPGDHTT

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 TP53 3078/4885NAAA 685/4885FAAH 3358/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN TP53 3078/4885NAAA 685/4885FAAH 3358/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN TP53 3078/4885NAAA 685/4885FAAH 3358/4885

“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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