SCHEMBL2723027

SCHEMBL2723027

CCC(=O)CCC(N=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.70
CTSK P43235 1/20 0.36
PRSS1 P07477 5/20 0.36
CTSG P08311 5/20 0.36
CTRB1 P17538 5/20 0.36
CMA1 P23946 5/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LTA4H P09960 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP2D6 P10635 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SYK P43405 1/20 0.33
SLC7A5 Q01650 1/20 0.33

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
SCHEMBL2723025 1.00 AAK1 (0.70) AAK1CTSKPRSS1CTSGCTRB1
SCHEMBL2723084 0.89 AAK1 (0.65) AAK1CTSKPRSS1CTSGCTRB1
SCHEMBL2723087 0.89 AAK1 (0.65) AAK1CTSKPRSS1CTSGCTRB1
SCHEMBL2722294 0.87 AAK1 (0.73) AAK1CTSKMEN1KMT2ALTA4H
SCHEMBL2722298 0.87 AAK1 (0.73) AAK1CTSKMEN1KMT2ALTA4H
SCHEMBL12766557 0.87 AAK1 (0.73) AAK1CTSKMEN1KMT2ALTA4H
SCHEMBL16116863 0.87 AAK1 (0.76) AAK1CTSKPRSS1CTSGCTRB1
SCHEMBL15192090 0.86 AAK1 (0.68) AAK1CTSKMEN1KMT2ANPC1
SCHEMBL15192091 0.86 AAK1 (0.68) AAK1CTSKMEN1KMT2ANPC1
SCHEMBL16116872 0.85 AAK1 (0.70) AAK1CTSKMEN1KMT2ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632917-B1 NOVEL PHASE TRANSFER CATALYSTS UNIV SINGAPORE (SG) 2016-04-20 EP disclosed
EP-2632917-A1 NOVEL PHASE TRANSFER CATALYSTS National University of Singapore (SG) 2013-09-04 EP disclosed
US-20130217889-A1 NOVEL PHASE TRANSFER CATALYSTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-08-22 US disclosed
WO-2012057709-A1 NOVEL PHASE TRANSFER CATALYSTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-05-03 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-20130217889-A1 NOVEL PHASE TRANSFER CATALYSTS POLR2B, POLR1A, POLR2A AAK1 3710/4885CTSK 2152/4885PRSS1 3253/4885

“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.