SCHEMBL10069005

SCHEMBL10069005

NC(CCCCNC(=O)c1ccco1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
ALDH1A1 P00352 3/20 0.68
PKM P14618 2/20 0.68
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TSHR P16473 2/20 0.53
TMEM97 Q5BJF2 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.48

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
SCHEMBL21689911 1.00 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL26057615 0.85 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL26057588 0.84 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL26057651 0.84 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL16266236 0.82 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL14996214 0.82 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL23099259 0.82 ERCC5 (0.44) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL31687700 0.82 ERCC5 (0.44) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL12085451 0.81 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL10033845 0.81 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1PKMNPC1RAB9A

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-2655395-B1 METHOD FOR CROSS-LINKING PEPTIDES UNIV GENT (BE) 2018-03-07 EP disclosed
US-9708363-B2 Method for cross-linking peptides UNIVERSITEIT GENT (BE) 2017-07-18 US disclosed
US-9708363-B2 Method for cross-linking peptides UNIVERSITEIT GENT (BE) 2017-07-18 US disclosed
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES UNIVERSITEIT GENT (BE) 2016-08-25 US disclosed
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES UNIVERSITEIT GENT (BE) 2016-08-25 US disclosed
US-9290537-B2 Method for cross-linking peptides UNIVERSITEIT GENT (BE) 2016-03-22 US disclosed
US-9290537-B2 Method for cross-linking peptides UNIVERSITEIT GENT (BE) 2016-03-22 US disclosed
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES UNIVERSITEIT GENT (BE) 2013-10-31 US disclosed
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES UNIVERSITEIT GENT (BE) 2013-10-31 US disclosed
WO-2012085279-A2 METHOD FOR CROSS-LINKING PEPTIDES UNIVERSITEIT GENT (BE) 2012-06-28 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-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 SMN1; SMN2 4574/4885ALDH1A1 2712/4885PKM 3080/4885
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 SMN1; SMN2 4574/4885ALDH1A1 2712/4885PKM 3080/4885

“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.