SCHEMBL5029368

SCHEMBL5029368

CC(C)N(C)C1CCC(CS(=O)(=O)c2ccccc2)(N2C(=O)C[C@H](N)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.37
KCNH2 Q12809 3/20 0.34
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
HTR2A P28223 2/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTR2C P28335 1/20 0.31
MAPT P10636 1/20 0.31
AADAT Q8N5Z0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4414986 0.83 CCR2 (0.39) CCR2KCNH2KEAP1NFE2L2HTR2A
SCHEMBL5027324 0.80 CCR2 (0.43) CCR2KCNH2KMT2A
SCHEMBL2991414 0.76 KMT2A (0.38) CCR2KCNH2HTR2AALDH1A1HTR2C
SCHEMBL5029359 0.71 CCR2 (0.61) CCR2KCNH2
SCHEMBL5117650 0.66 CCR2 (0.57) CCR2KCNH2
SCHEMBL4417518 0.66 CCR2 (0.64) CCR2KCNH2
SCHEMBL4414981 0.64 CCR2 (0.69) CCR2KCNH2
SCHEMBL4417166 0.64 CCR2 (0.69) CCR2KCNH2
SCHEMBL4414974 0.64 CCR2 (0.69) CCR2KCNH2
SCHEMBL2991410 0.63 CCR2 (0.54) CCR2KCNH2

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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 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

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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CCR2 5/4885KCNH2 2551/4885KEAP1 2051/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCR2 5/4885KCNH2 2551/4885KEAP1 2051/4885

“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.