SCHEMBL10442162

SCHEMBL10442162

CN[C@@H](C(C)=O)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 9/20 0.37
▸ MMP2 P08253 3/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ MMP1 P03956 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP14 P50281 2/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ EPHX2 P34913 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK10 P53779 1/20 0.34

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
SCHEMBL14028981 1.00 EPHX1 (0.37) EPHX1MMP2CA12CA1CA2
SCHEMBL10442194 1.00 EPHX1 (0.37) EPHX1MMP2CA12CA1CA2
SCHEMBL13979536 0.98 EPHX1 (0.40) EPHX1MMP2CA12CA1CA2
SCHEMBL10441975 0.98 EPHX1 (0.40) EPHX1MMP2CA12CA1CA2
SCHEMBL21510707 0.95 MMP1 (0.36) EPHX1MMP2CA12CA1CA2
SCHEMBL10206346 0.91 — —
SCHEMBL14942950 0.91 — —
SCHEMBL23371625 0.85 MMP1 (0.43) EPHX1MMP2CA12CA1CA2
SCHEMBL14086614 0.83 CPN1 (0.40) EPHX1MMP2MMP1MMP9MMP3
SCHEMBL5679173 0.82 MMP2 (0.39) EPHX1MMP2CA12CA1CA2

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-20120252734-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES OLSON GARY LEE (US) 2012-10-04 — — US disclosed
US-8222215-B2 Methods for the use of inhibitors of antigen presentation by MHC class II molecules PROVID PHARMACEUTICALS, INC. (US) 2012-07-17 — — US disclosed
US-8222215-B2 Methods for the use of inhibitors of antigen presentation by MHC class II molecules PROVID PHARMACEUTICALS, INC. (US) 2012-07-17 — — US disclosed
EP-1605963-B1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF PROVID PHARMACEUTICALS INC (US) 2011-11-16 — — EP disclosed
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES PROVID PHARMACEUTICALS, INC. 2009-04-30 — — US disclosed
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES PROVID PHARMACEUTICALS, INC. 2009-04-30 — — US disclosed
US-7439231-B2 Inhibitors of antigen presentation by MHC class II molecules and methods of use thereof PROVID PHARMACEUTICALS, INC. (US) 2008-10-21 — — US disclosed
US-7439231-B2 Inhibitors of antigen presentation by MHC class II molecules and methods of use thereof PROVID PHARMACEUTICALS, INC. (US) 2008-10-21 — — 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 (2 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-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES HLA-DRB1, CD74, MICA EPHX1 1180/4885MMP2 673/4885CA12 725/4885
US-20120252734-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES HLA-DRB1, CD74, MICA EPHX1 1129/4885MMP2 799/4885CA12 1076/4885

“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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