SCHEMBL3277465

SCHEMBL3277465

NCCCCC(N)C(=O)N1CCC[C@@]1(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 14/20 0.45
DPP8 Q6V1X1 7/20 0.45
DPP4 P27487 6/20 0.45
DPP9 Q86TI2 5/20 0.45
FAP Q12884 1/20 0.44
GSR P00390 1/20 0.44
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
ARG1 P05089 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
SCHEMBL11197546 0.82 DPP7 (0.44) DPP7DPP8DPP4DPP9FAP
SCHEMBL7903286 0.80 CPB2 (0.36) ITGB3ITGA2B
SCHEMBL7758752 0.78 DPP7 (0.40) DPP7DPP8DPP4DPP9FAP
SCHEMBL10589377 0.78 DPP7 (0.40) DPP7DPP8DPP4DPP9FAP
SCHEMBL7318606 0.78 DPP7 (0.43) DPP7DPP8DPP4DPP9FAP
SCHEMBL3214466 0.77 DPP4 (0.42) DPP7DPP8DPP4DPP9ARG1
SCHEMBL7760131 0.77 ITGB3 (0.43) DPP7DPP8DPP4DPP9FAP
SCHEMBL5552483 0.77 DPP7 (0.42) DPP7DPP8DPP4DPP9FAP
SCHEMBL11225014 0.76 DPP7 (0.52) DPP7DPP8DPP4DPP9FAP
SCHEMBL10781805 0.76 DPP7 (0.39) DPP7DPP8DPP4DPP9FAP

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-20120157388-A1 EXTERNAL COMPOSITION FOR SKIN SHISEIDO COMPANY, LTD. 2012-06-21 US disclosed
CN-101646416-B Composition for external application to skin SHISEIDO CO LTD 2011-08-17 CN disclosed
US-20100087535-A1 EXTERNAL COMPOSITION FOR SKIN SHISEIDO COMPANY, LTD. 2010-04-08 US disclosed
CN-101646416-A Composition for external application to skin SHISEIDO CO LTD JP 2010-02-10 CN disclosed
EP-2123254-A1 COMPOSITION FOR EXTERNAL APPLICATION TO SKIN Shiseido Company, Ltd. (JP) 2009-11-25 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 (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-20100087535-A1 EXTERNAL COMPOSITION FOR SKIN CUTA, COL14A1, KRT18 DPP7 582/4885DPP8 1033/4885DPP4 1570/4885
US-20120157388-A1 EXTERNAL COMPOSITION FOR SKIN CUTA, COL14A1, KRT18 DPP7 582/4885DPP8 1033/4885DPP4 1570/4885

“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.