SCHEMBL7093970

SCHEMBL7093970

CC(C)[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)NC(CC(=O)OC(C)(C)C)C(O)CF

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
CNR2 P34972 4/20 0.42
PHGDH O43175 3/20 0.41
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
TRPV3 Q8NET8 1/20 0.36
REN P00797 2/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL5667904 0.87 TRPA1 (0.50) TRPA1CNR2PHGDHCTSLCTSS
SCHEMBL5669522 0.77 ALDH1A1 (0.42) TRPA1CNR2PHGDH
SCHEMBL5667849 0.77 MEN1 (0.50) TRPA1PHGDH
SCHEMBL7199912 0.75 CASP3 (0.45) TRPA1PHGDH
SCHEMBL5494468 0.75 CTSD (0.51) CTSLCTSSREN
SCHEMBL5667638 0.75 CNR2 (0.51) TRPA1CNR2
SCHEMBL5667918 0.73 TRPA1 (0.51) TRPA1CNR2PHGDHCTSLCTSS
SCHEMBL7204508 0.73 CASP3 (0.40) CNR2
SCHEMBL7387938 0.72 TRPA1 (0.49) TRPA1CNR2PHGDHCTSLCTSS
SCHEMBL5174682 0.72 REN (0.39) REN

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-20030039661-A1 Methods, compositions and kits for preserving antigenicity IDUN PHARMACEUTICALS, INC. 2003-02-27 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-20030039661-A1 Methods, compositions and kits for preserving antigenicity CASP1, CASP3, APAF1 TRPA1 4435/4885CNR2 4542/4885PHGDH 1943/4885

“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.