SCHEMBL13043804

SCHEMBL13043804

CNCCCC(NC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 8/20 0.61
▸ SIRT1 Q96EB6 7/20 0.61
▸ SIRT3 Q9NTG7 4/20 0.61
▸ KYNU Q16719 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CTSL P07711 2/20 0.55
▸ CTSS P25774 2/20 0.55
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CTSK P43235 3/20 0.51
▸ ITGB3 P05106 1/20 0.51
▸ ITGAV P06756 1/20 0.51
▸ CTSB P07858 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
SCHEMBL20272629 0.92 SIRT2 (0.61) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL1162281 0.91 SIRT2 (0.60) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL8386880 0.91 SIRT2 (0.67) SIRT2SIRT1SIRT3KYNUALDH1A1
Hydrochloric Acid SCHEMBL1162135 0.90 SIRT2 (0.59) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL21018995 0.88 SIRT2 (0.62) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL12874103 0.87 SIRT2 (0.65) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL12247715 0.87 SIRT2 (0.65) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL1111018 0.87 SIRT2 (0.60) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL1110961 0.87 SIRT2 (0.60) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL15665360 0.87 CTSL (0.70) SIRT2SIRT1SIRT3KYNUALDH1A1

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-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 — — US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 — — US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 — — US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 — — US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 — — 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 SIRT2 2545/4885SIRT1 1483/4885SIRT3 2722/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 SIRT2 2545/4885SIRT1 1483/4885SIRT3 2722/4885

“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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