SCHEMBL2698951

SCHEMBL2698951

CCCCCC[C@H](C)C(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MMP2 P08253 4/20 0.58
MMP3 P08254 2/20 0.58
ALDH1A1 P00352 1/20 0.57
ASAH1 Q13510 1/20 0.57
ACER2 Q5QJU3 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.56
NAAA Q02083 2/20 0.50
MAPT P10636 1/20 0.49
MMP9 P14780 3/20 0.48
MMP8 P22894 1/20 0.48
CASR P41180 1/20 0.48
TLR2 O60603 1/20 0.47
CTSK P43235 5/20 0.47
MMP1 P03956 1/20 0.47
MMP14 P50281 1/20 0.47

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
SCHEMBL2698411 1.00 POLB (0.69) POLBMEN1KMT2AMMP2MMP3
SCHEMBL23171829 0.88 POLB (0.54) POLBMEN1KMT2AMMP2MMP3
SCHEMBL13814722 0.87 POLB (0.52) POLBMEN1KMT2AMMP2MMP3
SCHEMBL18943228 0.82 EPHX2 (0.62) POLBMEN1KMT2AMMP2MMP3
SCHEMBL5599660 0.80 MMP2 (0.59) POLBMEN1KMT2AMMP2MMP3
SCHEMBL5599303 0.80 MMP2 (0.59) POLBMEN1KMT2AMMP2MMP3
SCHEMBL5599307 0.80 MMP2 (0.59) POLBMEN1KMT2AMMP2MMP3
SCHEMBL25907902 0.80 POLB (0.60) POLBMEN1KMT2AALDH1A1CTDSP1
SCHEMBL10663786 0.80 POLB (0.45) POLBMMP2MMP3ALDH1A1ASAH1
SCHEMBL10664841 0.80 POLB (0.45) POLBMMP2MMP3ALDH1A1ASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160206680-A1 ANTI-TRYPANOSOME COMPOUNDS AND TREATMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-07-21 US disclosed
US-9321811-B2 Further novel anti-parasitic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-26 US disclosed
US-20140221276-A1 FURTHER NOVEL ANTI-PARASITIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-07 US disclosed
US-8772247-B2 Anti-parasitic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-08 US disclosed
US-20120108502-A1 NOVEL ANTI-PARASITIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2012-05-03 US disclosed
WO-2010108164-A2 NOVEL ANTI-PARASITIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-09-23 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 (3 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-20120108502-A1 NOVEL ANTI-PARASITIC COMPOUNDS NGLY1, PTMS, LRBA POLB 1840/4885MEN1 3365/4885KMT2A 579/4885
US-20160206680-A1 ANTI-TRYPANOSOME COMPOUNDS AND TREATMENTS PDF, TUFM, TRAP1 POLB 768/4885MEN1 2464/4885KMT2A 1585/4885
US-20140221276-A1 FURTHER NOVEL ANTI-PARASITIC COMPOUNDS PTMS, LRBA, PDF POLB 1914/4885MEN1 3676/4885KMT2A 811/4885

“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.