SCHEMBL1426693

SCHEMBL1426693

N=C(N)NCCC[C@H](NC(=O)c1ccco1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
PKM P14618 1/20 0.50
CTSL P07711 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
C3AR1 Q16581 4/20 0.44
FOLH1 Q04609 2/20 0.44
TMEM97 Q5BJF2 1/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL3901461 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL3901457 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL1426405 0.82 NPY4R (0.56)
SCHEMBL9956085 0.81 C3AR1 (0.40) ALDH1A1SMN1; SMN2PKMKMT2AL3MBTL1
SCHEMBL9956081 0.81 C3AR1 (0.40) ALDH1A1SMN1; SMN2PKMKMT2AL3MBTL1
SCHEMBL25365176 0.81 KMT2A (0.51) ALDH1A1SMN1; SMN2PKMCTSLKMT2A
SCHEMBL188589 0.81 C3AR1 (0.52) C3AR1FOLH1
SCHEMBL188590 0.81 C3AR1 (0.52) C3AR1FOLH1
SCHEMBL7925397 0.81 C3AR1 (0.52) C3AR1FOLH1
SCHEMBL14090780 0.80 C3AR1 (0.49) C3AR1FOLH1

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
CN-102066402-B Peptide derivative and composition for promoting tear secretion containing the same UNIV KINKI 2013-11-06 CN disclosed
EP-2301951-B1 PEPTIDE DERIVATIVE AND COMPOSITION FOR PROMOTING TEAR SECRETION COMPRISING THE SAME UNIV KINKI (JP) 2013-04-24 EP disclosed
US-8383595-B2 Peptide derivative and composition for promoting tear secretion comprising the same KINKI UNIVERSITY (JP) 2013-02-26 US disclosed
US-20110224154-A1 PEPTIDE DERIVATIVE AND COMPOSITION FOR PROMOTING TEAR SECRETION COMPRISING THE SAME KINKI UNIVERSITY (JP) 2011-09-15 US disclosed
CN-102066402-A Peptide derivative and composition for promoting tear secretion containing the same UNIV KINKI 2011-05-18 CN disclosed
EP-2301951-A1 PEPTIDE DERIVATIVE AND COMPOSITION FOR PROMOTING TEAR SECRETION COMPRISING THE SAME Kinki University (JP) 2011-03-30 EP 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-20110224154-A1 PEPTIDE DERIVATIVE AND COMPOSITION FOR PROMOTING TEAR SECRETION COMPRISING THE SAME CFD, VIP, CSTB ALDH1A1 4579/4885SMN1; SMN2 4778/4885PKM 3934/4885

“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.