SCHEMBL4980907

SCHEMBL4980907

Cc1ccc(S(=O)(=O)OCCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR119 Q8TDV5 15/20 0.46
MMP13 P45452 1/20 0.44
STS P08842 1/20 0.42
P2RX7 Q99572 2/20 0.42

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
SCHEMBL16520138 0.90 KMT2A (0.50) MEN1KMT2AGPR119MMP13STS
SCHEMBL4973467 0.89 MEN1 (0.48) MEN1KMT2AGPR119MMP13STS
SCHEMBL3319115 0.86 MEN1 (0.45) MEN1KMT2AGPR119MMP13P2RX7
SCHEMBL19205366 0.85 MEN1 (0.46) MEN1KMT2AGPR119MMP13P2RX7
SCHEMBL23531641 0.83 KMT2A (0.50) MEN1KMT2AGPR119MMP13STS
SCHEMBL619491 0.82 KMT2A (0.49) MEN1KMT2AGPR119MMP13STS
SCHEMBL30451018 0.81 GPR119 (0.68) MEN1KMT2AGPR119MMP13
SCHEMBL25547276 0.81 GPR119 (0.68) MEN1KMT2AGPR119MMP13
SCHEMBL31420242 0.81 KMT2A (0.53) MEN1KMT2AGPR119MMP13STS
SCHEMBL25284834 0.80 KMT2A (0.47) MEN1KMT2AGPR119MMP13STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
EP-1761491-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 MEN1 4736/4885KMT2A 3512/4885GPR119 140/4885

“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.