SCHEMBL2983334

SCHEMBL2983334

Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.51
CPB1 P15086 2/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPN P05981 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
MAPT P10636 1/20 0.42
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
TSHR P16473 1/20 0.41
CCR5 P51681 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2983339 1.00 CCR2 (0.51) CCR2CPB1LMNAALDH1A1GAA
SCHEMBL2992421 0.92 CCR2 (0.50) CCR2CPB1ALDH1A1GAADPP4
SCHEMBL2989537 0.92 CCR2 (0.50) CCR2CPB1ALDH1A1GAADPP4
SCHEMBL2989535 0.92 CCR2 (0.50) CCR2CPB1ALDH1A1GAADPP4
SCHEMBL2992417 0.92 CCR2 (0.50) CCR2CPB1ALDH1A1GAADPP4
SCHEMBL3091477 0.90 CCR2 (0.48) CCR2CPB1ALDH1A1GAADPP4
SCHEMBL3424924 0.90 CCR2 (0.48) CCR2CPB1ALDH1A1GAADPP4
SCHEMBL3424923 0.90 CCR2 (0.48) CCR2CPB1ALDH1A1GAADPP4
SCHEMBL3091482 0.90 CCR2 (0.48) CCR2CPB1ALDH1A1GAADPP4
SCHEMBL3091490 0.90 CCR2 (0.48) CCR2CPB1ALDH1A1GAADPP4

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-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 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 (1 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCR2 5/4885CPB1 847/4885LMNA 4309/4885

“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.