SCHEMBL3137817

SCHEMBL3137817

c1ccc(-c2ccc(COCC3CC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.63
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL1928095 0.88 TSHR (0.58) NAAACTSLCTSBCTSKTSHR
SCHEMBL17019782 0.88 TSHR (0.58) NAAACTSLCTSBCTSKTSHR
SCHEMBL11256794 0.82 NAAA (0.49) NAAACTSLCTSBCTSK
SCHEMBL6748142 0.81 CTSL (0.51) NAAACTSLCTSBCTSKTSHR
SCHEMBL6649338 0.81 TSHR (0.54) NAAACTSLCTSBCTSKTSHR
SCHEMBL4677170 0.81 TSHR (0.54) NAAACTSLCTSBCTSKTSHR
SCHEMBL11256793 0.81 LMNA (0.53) CTSLCTSBCTSKRAB9A
SCHEMBL23744979 0.80 CTSL (0.50) NAAACTSLCTSBCTSKTSHR
SCHEMBL16398142 0.80 CTSL (0.50) NAAACTSLCTSBCTSKTSHR
SCHEMBL756738 0.80 CTSL (0.50) NAAACTSLCTSBCTSKTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867650-B1 HYDROXYMETHYLBORON COMPOUNDS EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
EP-1867650-B1 HYDROXYMETHYLBORON COMPOUNDS EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US disclosed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US disclosed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US disclosed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US disclosed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US disclosed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US disclosed
EP-1867650-A1 HYDROXYMETHYLBORON COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2007-12-19 EP disclosed
EP-1867650-A1 HYDROXYMETHYLBORON COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2007-12-19 EP 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-20080242859-A1 Oxymethyl Boron Compounds BPGM, DDT, DBN1 NAAA 3463/4885IDO1 468/4885AGXT 1665/4885

“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.