SCHEMBL14028229

SCHEMBL14028229

CC(O)[C@H](N)C(=O)NCCOC(=O)N(c1ccc(C(F)(F)F)cc1)c1nccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.36
▸ NOD1 Q9Y239 3/20 0.36
▸ NOD2 Q9HC29 1/20 0.35
▸ KMO O15229 2/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ LARS1 Q9P2J5 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
SCHEMBL14003556 1.00 TRPV1 (0.36) TRPV1NOD1NOD2KMOTRPA1
SCHEMBL14003555 0.94 TRPV1 (0.37) TRPV1NOD1NOD2KMOTRPA1
SCHEMBL14003553 0.94 TRPV1 (0.37) TRPV1NOD1NOD2KMOTRPA1
SCHEMBL14028383 0.90 NOD1 (0.40) TRPV1NOD1NOD2KMOTRPA1
SCHEMBL14028385 0.90 NOD1 (0.40) TRPV1NOD1NOD2KMOTRPA1
SCHEMBL14003548 0.87 KMO (0.39) NOD1NOD2KMOTRPA1
SCHEMBL14003547 0.87 KMO (0.39) NOD1NOD2KMOTRPA1
SCHEMBL14003551 0.85 KMO (0.38) NOD1NOD2KMOTRPA1
SCHEMBL14003552 0.85 KMO (0.38) NOD1NOD2KMOTRPA1
SCHEMBL14003543 0.85 KMO (0.40) TRPV1NOD1NOD2KMOTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance WOISETSCHLAEGER MAXIMILIAN 2008-11-13 — — 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-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance IFNG, IL2, LY96 TRPV1 1498/4885NOD1 130/4885NOD2 123/4885

“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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