SCHEMBL3232564

SCHEMBL3232564

CC(C)Oc1cc(C=O)cc(-c2ccc(S(=O)(=O)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ ERN1 O75460 2/20 0.42
▸ MMP1 P03956 2/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ MMP7 P09237 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ PTGDR Q13258 1/20 0.36
▸ DRD1 P21728 2/20 0.36
▸ MCL1 Q07820 1/20 0.36

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
SCHEMBL18002608 0.80 ALDH1A3 (0.51) ALDH1A3ERN1RXRARXRBDRD1
SCHEMBL16497112 0.79 ERN1 (0.44) PTGS2ERN1CA12CA1CA2
SCHEMBL462491 0.77 PTGS2 (0.51) PTGS2MMP1MMP2MMP3MMP7
SCHEMBL18003239 0.74 SYK (0.40) ALDH1A3PTGS2ERN1FFAR4PTPN5
SCHEMBL1854300 0.74 NMT1 (0.49) FFAR4
SCHEMBL26683191 0.74 RXRA (0.46) ALDH1A3ERN1RXRARXRBDRD1
SCHEMBL11154024 0.74 KMT2A (0.52) ALDH1A3PTGS2MMP1MMP2MMP3
SCHEMBL1121444 0.74 ALDH1A3 (0.63) ALDH1A3ERN1DRD1
SCHEMBL12037831 0.74 ALDH1A3 (0.63) ALDH1A3ERN1DRD1
SCHEMBL27395643 0.72 KMT2A (0.50) ALDH1A3PTGS2MMP1MMP2MMP3

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-9828346-B2 N-myristoyl transferase inhibitors UNIVERSITY OF DUNDEE (GB) 2017-11-28 — — US disclosed
EP-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 — — EP disclosed
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2016-03-03 — — US disclosed
EP-2980076-A1 PYRAZOLYL DERIVATIVES University of Dundee (GB) 2016-02-03 — — EP disclosed
US-9156811-B2 N-myristoyl transferase inhibitors Univeristy of Dundee (GB) 2015-10-13 — — US disclosed
EP-2323987-B1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIV DUNDEE (GB) 2015-06-24 — — EP disclosed
US-20110312921-A1 N-Myristoyl Transferase Inhibitors DUNDEE, UNIVERSITY OF (GB) 2011-12-22 — — US disclosed
WO-2010026365-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2010-03-11 — — WO 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-20110312921-A1 N-Myristoyl Transferase Inhibitors GNMT, NNMT, SPTLC1 ALDH1A3 4653/4885PTGS2 3607/4885ERN1 1052/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 ALDH1A3 4653/4885PTGS2 3607/4885ERN1 1052/4885

“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.

Send feedback