SCHEMBL1769648

SCHEMBL1769648

COc1ccccc1CN(C)S(=O)(=O)CCC(N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 15/20 0.53
MEN1 O00255 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
TAS2R14 Q9NYV8 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL1769644 1.00 SLC1A5 (0.53) SLC1A5MEN1CRHBPKMT2ACRHR2
SCHEMBL13585508 0.89 MEN1 (0.50) SLC1A5MEN1CRHBPKMT2ACRHR2
SCHEMBL13585504 0.89 MEN1 (0.50) SLC1A5MEN1CRHBPKMT2ACRHR2
SCHEMBL13585588 0.84 SLC1A5 (0.49) SLC1A5MEN1CRHBPKMT2ACRHR2
SCHEMBL1769329 0.81 KDM4E (0.48) SLC1A5MEN1CRHBPKMT2ACRHR2
SCHEMBL16147891 0.77 SLC1A5 (0.53) SLC1A5MEN1KMT2A
SCHEMBL16147892 0.77 SLC1A5 (0.53) SLC1A5MEN1KMT2A
SCHEMBL28741601 0.77 SLC1A5 (0.53) SLC1A5MEN1KMT2A
SCHEMBL13585589 0.77 SLC1A5 (0.54) SLC1A5TAS2R14
SCHEMBL13585584 0.77 SLC1A5 (0.54) SLC1A5TAS2R14

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 4 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
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 SLC1A5 1793/4885MEN1 3852/4885CRHBP 164/4885

“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.