SCHEMBL4413487

SCHEMBL4413487

CC(C)(C)OC(=O)NC1CCC(N2CCC(NC(=O)OCc3ccccc3)C2=O)C(CS(=O)(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.46
KCNH2 Q12809 4/20 0.45
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 2/20 0.39
CTSK P43235 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
CASP3 P42574 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL4413483 1.00 CCR2 (0.46) CCR2KCNH2KMT2AL3MBTL1RORC
SCHEMBL4416820 0.94 CCR2 (0.47) CCR2KCNH2KMT2AL3MBTL1RORC
SCHEMBL4416824 0.94 CCR2 (0.47) CCR2KCNH2KMT2AL3MBTL1RORC
SCHEMBL3739197 0.89 KMT2A (0.45) KCNH2KMT2AL3MBTL1CTSKALDH1A1
SCHEMBL3739199 0.89 KMT2A (0.45) KCNH2KMT2AL3MBTL1CTSKALDH1A1
SCHEMBL4424453 0.85 KMT2A (0.45) KCNH2KMT2AL3MBTL1CTSKALDH1A1
SCHEMBL27667804 0.85 KMT2A (0.45) KCNH2KMT2AL3MBTL1CTSKALDH1A1
SCHEMBL3738944 0.85 KMT2A (0.45) KCNH2KMT2AL3MBTL1CTSKALDH1A1
SCHEMBL3738941 0.85 KMT2A (0.45) KCNH2KMT2AL3MBTL1CTSKALDH1A1
SCHEMBL3736202 0.84 KMT2A (0.44) KMT2AL3MBTL1CTSKALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098508-B1 Processes for preparing cyclic derivatives which are modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2012-06-20 EP disclosed
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 EP disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 US disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CCR2 5/4885KCNH2 2551/4885KMT2A 4636/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCR2 5/4885KCNH2 2315/4885KMT2A 4572/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCR2 5/4885KCNH2 2551/4885KMT2A 4636/4885

“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.