SCHEMBL4417528

SCHEMBL4417528

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)[C@H](CS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CPB1 P15086 2/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
CCR2 P41597 8/20 0.45
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
RORC P51449 4/20 0.42

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
SCHEMBL5029618 0.91 ALDH1A1 (0.48) ALDH1A1GAACPB1KMT2AL3MBTL1
SCHEMBL5029620 0.91 ALDH1A1 (0.48) ALDH1A1GAACPB1KMT2AL3MBTL1
SCHEMBL5027111 0.90 ALDH1A1 (0.47) ALDH1A1GAACPB1KMT2AL3MBTL1
SCHEMBL5029529 0.90 ALDH1A1 (0.47) ALDH1A1GAACPB1KMT2AL3MBTL1
SCHEMBL5029534 0.90 ALDH1A1 (0.47) ALDH1A1GAACPB1KMT2AL3MBTL1
SCHEMBL5027108 0.90 ALDH1A1 (0.47) ALDH1A1GAACPB1KMT2AL3MBTL1
SCHEMBL3801515 0.88 ALDH1A1 (0.46) ALDH1A1GAACPB1KMT2AL3MBTL1
SCHEMBL3733860 0.86 ALDH1A1 (0.52) ALDH1A1GAACPB1KMT2AL3MBTL1
SCHEMBL5027125 0.86 ALDH1A1 (0.52) ALDH1A1GAACPB1KMT2AL3MBTL1
SCHEMBL27667807 0.86 ALDH1A1 (0.52) ALDH1A1GAACPB1KMT2AL3MBTL1

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 ALDH1A1 1195/4885GAA 4521/4885CPB1 884/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 ALDH1A1 1039/4885GAA 4563/4885CPB1 925/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1195/4885GAA 4521/4885CPB1 884/4885

“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.