SCHEMBL6011960

SCHEMBL6011960

N#CCOc1ccc(S(=O)(=O)CCC2CCCCN2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
LTA4H P09960 13/20 0.41
ADAM17 P78536 2/20 0.38
SLC6A4 P31645 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL6011648 0.80 SLC6A4 (0.42) ADAM17SLC6A4MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL6011657 0.79 SLC6A4 (0.41) KMT2AADAM17SLC6A4MMP2MMP9
SCHEMBL6011958 0.74 ADAM17 (0.42) ADAM17SLC6A4MMP9MMP8MMP13
SCHEMBL6011962 0.72 HRH3 (0.51) KMT2ALTA4HADAM17
SCHEMBL11459383 0.71 LTA4H (0.52) KMT2ALTA4HSLC6A4
SCHEMBL6011358 0.70 GPR119 (0.43) ADAM17MMP2MMP9MMP8MMP13
SCHEMBL7438835 0.70 KMT2A (0.57) KMT2ALTA4H
SCHEMBL7439443 0.69 LTA4H (0.56) KMT2ALTA4H
SCHEMBL7445314 0.69 LTA4H (0.56) KMT2ALTA4H
SCHEMBL11458950 0.66 LTA4H (0.50) KMT2ALTA4HSLC6A4

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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 KMT2A 4052/4885LTA4H 2628/4885ADAM17 2639/4885

“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.