SCHEMBL5479230

SCHEMBL5479230

CCCCCCCCc1ccc(CCC(NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 8/20 0.63
SIRT1 Q96EB6 5/20 0.63
TGM2 P21980 1/20 0.60
CTSL P07711 6/20 0.56
CTSS P25774 1/20 0.56
SIRT3 Q9NTG7 4/20 0.54
CTSB P07858 2/20 0.52
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
CASP1 P29466 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 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
SCHEMBL15804479 0.90 SIRT2 (0.63) SIRT2SIRT1TGM2CTSLCTSS
SCHEMBL2963543 0.89 SIRT2 (0.76) SIRT2SIRT1TGM2CTSLCTSS
SCHEMBL7689520 0.89 SIRT2 (0.76) SIRT2SIRT1TGM2CTSLCTSS
SCHEMBL21357647 0.89 SIRT2 (0.76) SIRT2SIRT1TGM2CTSLCTSS
SCHEMBL4787188 0.89 SIRT2 (0.76) SIRT2SIRT1TGM2CTSLCTSS
SCHEMBL17279329 0.88 SIRT2 (0.74) SIRT2SIRT1TGM2CTSLCTSS
SCHEMBL11308449 0.88 SIRT2 (0.74) SIRT2SIRT1TGM2CTSLCTSS
SCHEMBL17694104 0.88 SIRT2 (0.74) SIRT2SIRT1TGM2CTSLCTSS
SCHEMBL2487005 0.88 CTSL (0.65) CTSLCTSSCTSBCASP1
SCHEMBL1701581 0.88 CTSL (0.65) CTSLCTSSCTSBCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070224263-A1 Aminoalkylphosphonates and related compounds as Edg receptor agonists DOHERTY GEORGE A 2007-09-27 US disclosed
US-20060089334-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists MERCK & CO., INC. 2006-04-27 US disclosed
US-20050107345-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists DOHERTY GEORGE A (US) 2005-05-19 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 (3 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-20060089334-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists ADGRF1, EDNRA, ADGRE5 SIRT2 4582/4885SIRT1 4525/4885TGM2 2990/4885
US-20050107345-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists EDNRA, ADGRE5, ADGRF1 SIRT2 4385/4885SIRT1 4694/4885TGM2 2701/4885
US-20070224263-A1 Aminoalkylphosphonates and related compounds as Edg receptor agonists ADGRE5, EDNRA, ADGRF1 SIRT2 4118/4885SIRT1 4706/4885TGM2 2414/4885

“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.