SCHEMBL254152

SCHEMBL254152

CC(C)CCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
FOLH1 Q04609 12/20 0.45
ALDH1A1 P00352 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
ALB P02768 1/20 0.39

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
SCHEMBL23824133 0.98 SMN1; SMN2 (0.49) SMN1; SMN2TP53FOLH1ALDH1A1SIGMAR1
SCHEMBL29299819 0.95 FOLH1 (0.51) SMN1; SMN2TP53FOLH1ALB
SCHEMBL13028392 0.95 SMN1; SMN2 (0.43) SMN1; SMN2TP53FOLH1ALDH1A1SIGMAR1
SCHEMBL24590552 0.94 SMN1; SMN2 (0.50) SMN1; SMN2TP53FOLH1ALDH1A1SIGMAR1
SCHEMBL29299673 0.93 FOLH1 (0.45) SMN1; SMN2TP53FOLH1ALDH1A1SIGMAR1
SCHEMBL20104885 0.92 FOLH1 (0.43) SMN1; SMN2TP53FOLH1ALDH1A1SIGMAR1
SCHEMBL29299828 0.92 FOLH1 (0.48) SMN1; SMN2TP53FOLH1ALDH1A1ALB
SCHEMBL29299679 0.91 ALDH1A1 (0.45) SMN1; SMN2TP53FOLH1ALDH1A1SIGMAR1
SCHEMBL29299829 0.89 SMN1; SMN2 (0.46) SMN1; SMN2TP53FOLH1ALDH1A1SIGMAR1
SCHEMBL29299797 0.88 DPP7 (0.46) SMN1; SMN2TP53FOLH1ALDH1A1

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
EP-2459565-B1 SAXITOXIN DERIVATIVES, METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN UNIV LELAND STANFORD JUNIOR (US) 2018-05-02 EP disclosed
US-20160115173-A1 METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-04-28 US disclosed
US-9174999-B2 Methods and compositions for studying, imaging, and treating pain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-11-03 US disclosed
WO-2010129864-A9 METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-03-08 WO disclosed
US-20100284913-A1 Methods and compositions for studying, imaging, and treating pain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2010-11-11 US disclosed
WO-2010129864-A2 METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-11-11 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-20160115173-A1 METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN INA, SCN3A, SCN9A SMN1; SMN2 45/4885TP53 4286/4885FOLH1 2566/4885
US-20100284913-A1 Methods and compositions for studying, imaging, and treating pain INA, SCN3A, SCN9A SMN1; SMN2 45/4885TP53 4286/4885FOLH1 2566/4885

“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.