SCHEMBL16497112

SCHEMBL16497112

CCCOc1cc(C=O)cc(-c2ccc(S(=O)(=O)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.44
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ CA12 O43570 3/20 0.41
▸ CA7 P43166 3/20 0.41
▸ PTGS2 P35354 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ FDFT1 P37268 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 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
SCHEMBL3232564 0.79 ALDH1A3 (0.44) ERN1CA1CA2CA9CA12
SCHEMBL16376096 0.75 CA12 (0.68) CA1CA2CA9CA12CA7
SCHEMBL273091 0.75 ALDH1A1 (0.44) ERN1CA1CA2CA9CA12
SCHEMBL14316911 0.75 ALDH1A1 (0.44) ERN1CA1CA2CA9CA12
SCHEMBL3237332 0.73 NPC1 (0.46) MEN1KMT2AALDH1A1HPGD
SCHEMBL13168305 0.72 MAPT (0.51) ERN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL12212935 0.70 TDP1 (0.57) CA1CA2CA9CA12PTGS2
SCHEMBL2944205 0.70 TDP1 (0.57) CA1CA2CA9CA12PTGS2
SCHEMBL13048653 0.70 L3MBTL1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL416498 0.70 ERN1 (0.56) ERN1FDFT1MEN1KMT2ALMNA

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 7 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

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 ERN1 1052/4885CA1 4003/4885CA2 3323/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 ERN1 1052/4885CA1 4003/4885CA2 3323/4885

“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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