SCHEMBL6411328

SCHEMBL6411328

COC(=O)c1ccc2c(c1OS(=O)(=O)C(F)(F)F)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.40
METAP2 P50579 5/20 0.38
CXCR5 P32302 2/20 0.36
SORT1 Q99523 2/20 0.35
CFTR P13569 1/20 0.35
DRD2 P14416 2/20 0.34
HTR1D P28221 2/20 0.34
DRD3 P35462 2/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL19330608 0.97 CXCR2 (0.38) CXCR2METAP2CXCR5SORT1CFTR
SCHEMBL12500989 0.80 METAP2 (0.40) METAP2DRD2HTR1DDRD3TP53
SCHEMBL7676369 0.80 CXCR5 (0.37) CXCR2CXCR5CFTRDRD2HTR1D
SCHEMBL20956566 0.80 DRD2 (0.38) CFTRDRD2HTR1DDRD3TP53
SCHEMBL19330864 0.78 CFTR (0.38) CXCR2CFTR
SCHEMBL21834481 0.77 MEN1 (0.41) CXCR2CXCR5POLB
SCHEMBL18529854 0.76 PDK2 (0.44) CXCR2CFTR
SCHEMBL19330640 0.75 TRIM24 (0.33) CXCR2CFTRDRD2POLB
SCHEMBL6197535 0.75 LMNA (0.42) CFTRPOLB
SCHEMBL30888601 0.75 BDKRB1 (0.35) METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A CXCR2 2304/4885METAP2 1527/4885CXCR5 2578/4885

“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.