SCHEMBL18789040

SCHEMBL18789040

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.57
▸ CPB1 P15086 1/20 0.55
▸ CPB2 Q96IY4 1/20 0.55
▸ SIRT2 Q8IXJ6 6/20 0.55
▸ SIRT1 Q96EB6 5/20 0.55
▸ SIRT3 Q9NTG7 4/20 0.55
▸ CA2 P00918 2/20 0.54
▸ CA1 P00915 1/20 0.54
▸ SIRT5 Q9NXA8 1/20 0.52
▸ CA5A P35218 1/20 0.52

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
SCHEMBL18806287 0.89 FOLH1 (0.59) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL23348289 0.88 FOLH1 (0.60) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL17244715 0.88 SIRT5 (0.62) FOLH1SIRT2SIRT1SIRT3SIRT5
SCHEMBL18789049 0.86 CAPN1 (0.63) SIRT5
SCHEMBL28643163 0.86 FOLH1 (0.56) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL16862463 0.86 FOLH1 (0.56) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL18806289 0.86 FOLH1 (0.58) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL18806288 0.85 CPB1 (0.58) FOLH1CPB1CPB2CA2CA1
SCHEMBL17694108 0.85 SIRT2 (0.68) SIRT2SIRT1SIRT3
SCHEMBL18789038 0.85 FOLH1 (0.59) FOLH1SIRT2SIRT1SIRT3SIRT5

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-20170119841-A1 AMINO ACID SALTS OF UNSATURATED FATTY ACIDS THETIS PHARMACEUTICALS LLC 2017-05-04 — — 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-20170119841-A1 AMINO ACID SALTS OF UNSATURATED FATTY ACIDS SLC27A2, SLC27A1, SLC1A5 FOLH1 666/4885CPB1 2641/4885CPB2 1712/4885

“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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