SCHEMBL6434681

SCHEMBL6434681

CC(C)[C@@H]([C]=O)NC(=O)[C@@H](N)CCCCN

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 7/20 0.50
DPP9 Q86TI2 7/20 0.50
DPP7 Q9UHL4 6/20 0.50
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
DPP4 P27487 4/20 0.44
GSR P00390 1/20 0.44
SLC15A1 P46059 1/20 0.38
MMP2 P08253 1/20 0.38
TLR2 O60603 2/20 0.37
CTSC P53634 1/20 0.36
RRM1 P23921 1/20 0.36
TERT O14746 2/20 0.35

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
SCHEMBL6438575 0.89 DPP8 (0.49) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL9304084 0.87 DPP7 (0.50) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL9304078 0.87 DPP7 (0.50) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL11482808 0.86 SLC15A1 (0.54) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL5671395 0.84 DPP8 (0.52) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL9117592 0.84 DPP8 (0.52) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL9117596 0.84 DPP8 (0.52) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL9637291 0.82 DPP8 (0.46) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL9637284 0.82 DPP8 (0.46) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL14065666 0.80 DPP7 (0.58) DPP8DPP9DPP7GNAI3GNAO1

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
CN-107028792-A Oligomeric biosurfactants in skin cosmetic compositions 唐纳德·欧文 2017-08-11 CN disclosed
US-6916800-B2 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent PFIZER INC (US) 2005-07-12 US disclosed
US-6858598-B1 Method of using a matrix metalloproteinase inhibitor and one or more antineoplastic agents as a combination therapy in the treatment of neoplasia G. D. SEARLE & CO. (US) 2005-02-22 US disclosed
US-20050037090-A1 Combination therapy including a cyclooxygenase-2 inhibitor and an antineoplastic agent MCKEARN JOHN P (US) 2005-02-17 US disclosed
US-6833373-B1 N-(3-hydroxy-5-((1,4,5,6-tetrahydro-5-hydroxy-2-pyrimidinyl) -amino)-benzoyl)glycyl-3-(3-bromo-5-chloro-2-hydroxyphenyl)-b-alanine and tamoxifen; breast cancer G.D. SEARLE & CO. 2004-12-21 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-20050037090-A1 Combination therapy including a cyclooxygenase-2 inhibitor and an antineoplastic agent PTGS2, PTGES2, PTGS1 DPP8 2832/4885DPP9 2316/4885DPP7 1491/4885

“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.