SCHEMBL3233263

SCHEMBL3233263

CN(C)Cc1cccc(-c2ccc(S(=O)(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.56
▸ HSD17B2 P37059 1/20 0.56
▸ TAAR1 Q96RJ0 2/20 0.53
▸ NMT1 P30419 7/20 0.52
▸ AOC3 Q16853 8/20 0.47
▸ HTR7 P34969 1/20 0.44
▸ ADAMTS4 O75173 1/20 0.44

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
SCHEMBL19496815 0.86 HSD17B1 (0.53) HSD17B1HSD17B2TAAR1NMT1AOC3
SCHEMBL3237375 0.85 AOC3 (0.55) HSD17B1HSD17B2NMT1AOC3ADAMTS4
SCHEMBL16496731 0.80 VSIR (0.53) HSD17B1HSD17B2NMT1ADAMTS4
SCHEMBL29864624 0.78 TAAR1 (0.67) TAAR1NMT1AOC3HTR7
SCHEMBL3464184 0.78 TAAR1 (0.67) TAAR1NMT1AOC3HTR7
SCHEMBL3238340 0.78 ACMSD (0.52) HSD17B1HSD17B2NMT1ADAMTS4
SCHEMBL2486885 0.78 TAAR1 (0.58) HSD17B1HSD17B2TAAR1AOC3HTR7
SCHEMBL15826671 0.77 TSHR (0.63) TAAR1AOC3
SCHEMBL3236665 0.76 NMT1 (0.63) NMT1
SCHEMBL19496621 0.76 TAAR1 (0.70) TAAR1AOC3HTR7

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 HSD17B1 2047/4885HSD17B2 2742/4885TAAR1 4667/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 HSD17B1 2047/4885HSD17B2 2742/4885TAAR1 4667/4885

“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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