SCHEMBL506842

SCHEMBL506842

CCCCCCCCCCCCCCNC(=O)C(N)CO

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.71
RRM1 P23921 1/20 0.70
GNAI3 P08754 1/20 0.66
GNAO1 P09471 1/20 0.66
GNAI1 P63096 1/20 0.66
S1PR1 P21453 6/20 0.60
S1PR3 Q99500 6/20 0.60
S1PR2 O95136 5/20 0.60
S1PR5 Q9H228 4/20 0.60
EPHX1 P07099 5/20 0.53
SPHK1 Q9NYA1 2/20 0.50
TLR2 O60603 1/20 0.50
NOD1 Q9Y239 1/20 0.50
NAAA Q02083 1/20 0.50

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
SCHEMBL248428 1.00 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL671932 1.00 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL15662048 1.00 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL506841 1.00 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL6419557 1.00 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL15662046 1.00 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL23001174 1.00 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL17817201 1.00 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21367553 1.00 DPP7 (0.71) DPP7RRM1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL506235 0.98 DPP7 (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853452-B2 Compounds, their syntheses, compositions, and methods to treat cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-10-07 US claimed
US-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2012-02-02 US claimed
US-8853452-B2 Compounds, their syntheses, compositions, and methods to treat cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-10-07 US disclosed
US-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2012-02-02 US disclosed
WO-2010093615-A2 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER TULANE UNIVERSITY (US) 2010-08-19 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-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER SGMS1, PHOSPHO1, MCL1 DPP7 3864/4885RRM1 564/4885GNAI3 1049/4885

“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.