SCHEMBL6011397

SCHEMBL6011397

Nc1ccc(S(=O)(=O)CCC2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MMP2 P08253 1/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
NT5E P21589 1/20 0.38
CCR5 P51681 1/20 0.37
AOC2 O75106 1/20 0.37
CNR2 P34972 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
POLB P06746 2/20 0.36
RAB9A P51151 1/20 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
SCHEMBL6011384 0.83 GPR119 (0.57) GPR119
SCHEMBL27143232 0.79 ALDH1A1 (0.50) MEN1KMT2AALDH1A1GPR119RAB9A
SCHEMBL6011358 0.78 GPR119 (0.43) MMP2AOC2GPR119
SCHEMBL15954401 0.77 MAOB (0.47)
SCHEMBL4600115 0.77 MAOB (0.44) ALDH1A1
SCHEMBL20502276 0.76 CA2 (0.60) CA12CA1CA2CA7CA9
SCHEMBL5428002 0.76 CA12 (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL6011463 0.76 CHRM1 (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL3129363 0.75 KMT2A (0.51) KMT2AGAAF2POLB
SCHEMBL14406643 0.75 ALDH1A1 (0.40) ALDH1A1GPR119

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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 WO 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 MEN1 4089/4885KMT2A 4052/4885CA12 4871/4885

“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.