SCHEMBL15499735

SCHEMBL15499735

CNC(Cc1ccccc1)C(=O)NC(CCCN)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.55
MMP1 P03956 6/20 0.51
MMP3 P08254 4/20 0.51
MMP9 P14780 2/20 0.51
CTSL P07711 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
OPRK1 P41145 1/20 0.45
MMP8 P22894 1/20 0.45
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45
GHSR Q92847 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
MMP2 P08253 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
SCHEMBL15948101 0.96 GNPAT (0.54) GNPATMMP1MMP3MMP9OPRK1
SCHEMBL22695740 0.96 GNPAT (0.54) GNPATMMP1MMP3MMP9OPRK1
SCHEMBL14553984 0.92 GNPAT (0.48) GNPATMMP1MMP3MMP9CTSL
SCHEMBL20072307 0.90 GNPAT (0.52) GNPATMMP1CTSLNPFFR1NPFFR2
SCHEMBL18499711 0.89 GHSR (0.55) GNPATCTSLGHSR
SCHEMBL22845647 0.89 GHSR (0.55) GNPATCTSLGHSR
SCHEMBL23128369 0.88 MME (0.53) GNPATMMP1MMP3HDAC3HDAC4
SCHEMBL30917923 0.87 GNPAT (0.61) GNPATMMP2
SCHEMBL15145509 0.86 MME (0.53) GNPATMMP1MMP3MMP9CTSL
SCHEMBL27267618 0.86 MME (0.53) GNPATMMP1MMP3MMP9CTSL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218085-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY NOVARTIS AG (CH) 2017-08-03 US disclosed
US-9585970-B2 Site-specific labeling methods and molecules produced thereby NOVARTIS AG (CH) 2017-03-07 US disclosed
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20150104468-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY IRM LLC (BM) 2015-04-16 US disclosed
US-20140065171-A1 Site-Specific Labeling Methods and Molecules Produced Thereby NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-03-06 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 (4 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-20150104468-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY PTMS, DNPEP, PSAT1 GNPAT 59/4885MMP1 4065/4885MMP3 3795/4885
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP GNPAT 3147/4885MMP1 1985/4885MMP3 2516/4885
US-20140065171-A1 Site-Specific Labeling Methods and Molecules Produced Thereby PTMS, DNPEP, PSAT1 GNPAT 36/4885MMP1 3914/4885MMP3 3597/4885
US-20170218085-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY PTMS, DNPEP, PSAT1 GNPAT 36/4885MMP1 3914/4885MMP3 3597/4885

“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.