SCHEMBL2870482

SCHEMBL2870482

CN(CC(C)(C)NC(=O)OCc1ccccc1)C(=O)CCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRB P23467 1/20 0.43
ACP1 P24666 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 4/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
FOLH1 Q04609 1/20 0.37

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
SCHEMBL16207904 0.83 SMN1; SMN2 (0.47) PTPN2PTPN1PTPRBACP1MEN1
SCHEMBL2874248 0.82 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL12975087 0.81 MEN1 (0.41) PTPN2PTPN1PTPRBACP1MEN1
SCHEMBL2188090 0.79 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL2873085 0.79 MEN1 (0.47) PTPN2PTPN1PTPRBACP1MEN1
SCHEMBL2873030 0.78 CA1 (0.51) PTPN2PTPN1PTPRBACP1MEN1
SCHEMBL2873356 0.77 CA1 (0.50) PTPN2PTPN1PTPRBACP1MEN1
SCHEMBL2875766 0.76 MEN1 (0.44) PTPN2PTPN1PTPRBACP1MEN1
SCHEMBL2870452 0.75 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL848606 0.74 SMN1; SMN2 (0.50) PTPN2PTPN1PTPRBACP1MEN1

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-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 US disclosed
EP-2120965-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES Novabay Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
WO-2008083347-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. (US) 2008-07-10 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 (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-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES DCTD, DDC, DAO PTPN2 3495/4885PTPN1 3610/4885PTPRB 4296/4885

“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.