SCHEMBL12994175

SCHEMBL12994175

CCCCCC(C)C(=O)NCCCCC(NC(=O)C(C)CCCCC)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)C(C)CCCCC)NC(=O)C(C)CCCCC)C(=O)NCCCCC(C)NC(=O)C(CCCCNC(=O)C(CCCCNC(=O)C(C)CCCCC)NC(=O)C(C)CCCCC)NC(=O)C(CCCCNC(=O)C(C)CCCCC)NC(=O)C(C)CCCCC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.53
▸ DPP7 Q9UHL4 2/20 0.43
▸ TLR2 O60603 2/20 0.43
▸ GNAI3 P08754 1/20 0.42
▸ GNAO1 P09471 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ CNR1 P21554 5/20 0.40
▸ RRM1 P23921 1/20 0.40
▸ GLP1R P43220 3/20 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
SCHEMBL13657783 0.92 DPP7 (0.50) SIRT6SIRT1DPP7GNAI3GNAO1
SCHEMBL13630642 0.89 SIRT6 (0.56) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL13630636 0.89 SIRT6 (0.53) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL19788546 0.82 SIRT1 (0.65) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL26805124 0.81 SIRT6 (0.48) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL12797998 0.81 SIRT6 (0.51) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL12797999 0.81 SIRT6 (0.51) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL9885171 0.81 NAAA (0.51) SIRT6SIRT1TLR2
SCHEMBL28052076 0.81 GNAI3 (0.58) SIRT6SIRT1DPP7GNAI3GNAO1
SCHEMBL28052266 0.81 GNAI3 (0.58) SIRT6SIRT1DPP7GNAI3GNAO1

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-20100324146-A1 Dendrimeric Enzyme Inhibitors STARPHARMA PTY LTD (AU) 2010-12-23 — — US disclosed
US-20090269298-A1 AGENT FOR THE PREVENTION AND TREATMENT OF SEXUALLY TRANSMITTED DISEASES-I STARPHARMA PTY LTD. 2009-10-29 — — 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 (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-20090269298-A1 AGENT FOR THE PREVENTION AND TREATMENT OF SEXUALLY TRANSMITTED DISEASES-I DNPEP, CTSA, TLR1 SIRT6 607/4885SIRT1 441/4885DPP7 368/4885
US-20100324146-A1 Dendrimeric Enzyme Inhibitors CD44, GAA, HPSE SIRT6 829/4885SIRT1 998/4885DPP7 99/4885

“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.

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