SCHEMBL13501916

SCHEMBL13501916

CCCCCCCC/C=C/CCCCCCCCNC(=O)[C@H](N)CO

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.59
RRM1 P23921 1/20 0.59
GNAI3 P08754 1/20 0.56
GNAO1 P09471 1/20 0.56
GNAI1 P63096 1/20 0.56
SLC6A5 Q9Y345 2/20 0.54
EPHX2 P34913 7/20 0.52
S1PR2 O95136 2/20 0.52
S1PR1 P21453 2/20 0.52
S1PR3 Q99500 2/20 0.52
S1PR5 Q9H228 1/20 0.52
ASAH2 Q9NR71 1/20 0.51

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
SCHEMBL506841 0.91 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL17817201 0.91 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL15662048 0.91 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL671932 0.91 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL15662046 0.91 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL23001174 0.91 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL506842 0.91 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL6419557 0.91 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21367553 0.91 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL248428 0.91 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662842-B2 Thiazolidinone amides, thiazolidine carboxylic acid amides, and serine amides, including polyamine conjugates thereof, as selective anti-cancer agents Ohio State Univesity Research Foundation (US) 2010-02-16 US disclosed
US-20070155807-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-07-05 US 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-20070155807-A1 THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS SRM, SAT1, SMS DPP7 622/4885RRM1 2505/4885GNAI3 2206/4885

“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.