SCHEMBL13585331

SCHEMBL13585331

CN1CCCN(S(=O)(=O)CCC(N)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.42
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GCLC P48506 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAB9A P51151 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33

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
SCHEMBL13585330 1.00 PMP22 (0.42) PMP22APOBEC3AAPOBEC3GGCLCPOLB
SCHEMBL13585443 0.94 PMP22 (0.47) PMP22GCLCPOLBKMT2AKDM4E
SCHEMBL1768702 0.94 PMP22 (0.47) PMP22GCLCPOLBKMT2AKDM4E
SCHEMBL1768504 0.89 PMP22 (0.47) PMP22GCLCKMT2ADPP7CYP1A2
SCHEMBL13585245 0.89 PMP22 (0.47) PMP22GCLCKMT2ADPP7CYP1A2
SCHEMBL13585798 0.87 APOBEC3A (0.40) PMP22APOBEC3AAPOBEC3GGCLCPOLB
SCHEMBL13585794 0.87 APOBEC3A (0.40) PMP22APOBEC3AAPOBEC3GGCLCPOLB
SCHEMBL1768638 0.86 PMP22 (0.47) PMP22GCLCKMT2ADPP7CYP1A2
SCHEMBL13585377 0.86 PMP22 (0.47) PMP22GCLCKMT2ADPP7CYP1A2
SCHEMBL13584948 0.84 DPP7 (0.47) PMP22GCLCKMT2ADPP7CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 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 (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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 PMP22 1622/4885APOBEC3A 3699/4885APOBEC3G 3885/4885

“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.