SCHEMBL18806288

SCHEMBL18806288

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 1/20 0.58
▸ CPB2 Q96IY4 1/20 0.58
▸ FOLH1 Q04609 2/20 0.57
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CAPN1 P07384 1/20 0.53
▸ CAPN2 P17655 1/20 0.53
▸ MMP3 P08254 1/20 0.53
▸ CTSK P43235 4/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 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
SCHEMBL18789049 0.91 CAPN1 (0.63) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL18806289 0.90 FOLH1 (0.58) CPB1CPB2FOLH1CA1CA2
SCHEMBL23348289 0.88 FOLH1 (0.60) CPB1CPB2FOLH1CA1CA2
SCHEMBL18806287 0.87 FOLH1 (0.59) CPB1CPB2FOLH1CA1CA2
SCHEMBL17244715 0.85 SIRT5 (0.62) FOLH1
SCHEMBL18789040 0.85 FOLH1 (0.57) CPB1CPB2FOLH1CA1CA2
SCHEMBL26222682 0.85 CA1 (0.61) CPB1CPB2FOLH1CA1CA2
SCHEMBL24130284 0.83 CPB1 (0.66) CPB1CPB2FOLH1CAPN1CAPN2
SCHEMBL24130289 0.83 CPB1 (0.66) CPB1CPB2FOLH1CAPN1CAPN2
SCHEMBL17694108 0.83 SIRT2 (0.68) CTSSCTSL

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 CPB1 2641/4885CPB2 1712/4885FOLH1 666/4885

“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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