SCHEMBL2994264

SCHEMBL2994264

O=C(N[C@H]1CCC2(C[C@H]1CS(=O)(=O)c1ccc(Br)cc1)OCCO2)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MMP13 P45452 4/20 0.37
TSHR P16473 1/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
F13A1 P00488 3/20 0.36
TGM2 P21980 3/20 0.36
TGM1 P22735 3/20 0.36

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
SCHEMBL2994267 1.00 CPB1 (0.38) CPB1ALDH1A1GAAMMP13TSHR
SCHEMBL2994272 1.00 CPB1 (0.38) CPB1ALDH1A1GAAMMP13TSHR
SCHEMBL4412545 0.94 ALDH1A1 (0.41) CPB1ALDH1A1GAATSHRKDM1A
SCHEMBL4412540 0.94 ALDH1A1 (0.41) CPB1ALDH1A1GAATSHRKDM1A
SCHEMBL3427653 0.89 TGM2 (0.40) CPB1ALDH1A1GAAMMP13TSHR
SCHEMBL5854162 0.89 CCR2 (0.39) CPB1ALDH1A1GAAMMP13TSHR
SCHEMBL5854166 0.89 CCR2 (0.39) CPB1ALDH1A1GAAMMP13TSHR
SCHEMBL5854171 0.89 CCR2 (0.39) CPB1ALDH1A1GAAMMP13TSHR
SCHEMBL3427650 0.89 TGM2 (0.40) CPB1ALDH1A1GAAMMP13TSHR
SCHEMBL2990092 0.83 MEN1 (0.39) CPB1ALDH1A1GAATSHRKDM1A

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 9 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-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 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-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 (4 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 CPB1 847/4885ALDH1A1 1095/4885GAA 4566/4885
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CPB1 884/4885ALDH1A1 1195/4885GAA 4521/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CPB1 884/4885ALDH1A1 1195/4885GAA 4521/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CPB1 823/4885ALDH1A1 1345/4885GAA 4561/4885

“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.