SCHEMBL1769726

SCHEMBL1769726

N[C@@H](CNS(=O)(=O)NCc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 2/20 0.46
▸ NSD2 O96028 2/20 0.45
▸ GRB2 P62993 1/20 0.45
▸ KIF11 P52732 1/20 0.44
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A2 P43004 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRM8 O00222 1/20 0.41
▸ GRM4 Q14833 1/20 0.41

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
SCHEMBL13585267 1.00 TPH1 (0.46) TPH1NSD2GRB2KIF11SLC1A3
SCHEMBL13585317 0.87 GRM8 (0.47) TPH1NSD2GRB2KIF11SLC1A3
SCHEMBL13585314 0.87 GRM8 (0.47) TPH1NSD2GRB2KIF11SLC1A3
SCHEMBL13585555 0.83 CA12 (0.62) SLC1A3SLC1A2SLC1A1CA12CA2
SCHEMBL13585561 0.83 CA12 (0.62) SLC1A3SLC1A2SLC1A1CA12CA2
SCHEMBL13585279 0.83 TPH1 (0.47) TPH1NSD2GRB2KIF11SLC1A3
SCHEMBL13585282 0.83 TPH1 (0.47) TPH1NSD2GRB2KIF11SLC1A3
SCHEMBL1769526 0.82 KIF11 (0.47) TPH1NSD2GRB2KIF11SLC1A3
SCHEMBL1769523 0.82 KIF11 (0.47) TPH1NSD2GRB2KIF11SLC1A3
SCHEMBL1769052 0.80 GRM4 (0.43) EPHX2CA12CA2CA7CA14

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-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
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 TPH1 1402/4885NSD2 4579/4885GRB2 1105/4885

“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.

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