SCHEMBL4428566

SCHEMBL4428566

CC(C)(C)C(=O)OCOP(=O)(COC1(Cn2cnc3cnc(N)nc32)CC1)OCCC(C)(C)C(=O)O.O=S(=O)(O)c1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.35
POLA1 P09884 1/20 0.35
POLG P54098 1/20 0.35
FAP Q12884 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ADRA1A P35348 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL4415990 0.90 ABCB11 (0.40) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL4419762 0.90 ABCB11 (0.40) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2912291 0.90 ABCB11 (0.42) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL4422979 0.88 ABCB11 (0.36) ABCB11POLA1POLGFAPSLC22A6
Maleic Acid SCHEMBL4395451 0.86 FAP (0.40) ABCB11POLA1POLGFAPSLC22A6
Malic Acid SCHEMBL27872847 0.84 ABCB11 (0.38) ABCB11POLA1POLGFAPSLC22A6
Lb80380 SCHEMBL4270816 0.83 FAP (0.46) ABCB11POLA1POLGFAPSLC22A6
Lb80380 SCHEMBL29355183 0.83 FAP (0.46) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2912357 0.81 ABCB11 (0.42) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2939529 0.81 ABCB11 (0.40) ABCB11POLA1POLGFAPSLC22A6

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-20090325904-A1 MALEIC ACID MONOSALT OF ANTIVIRAL AGENT AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2009-12-31 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-20090325904-A1 MALEIC ACID MONOSALT OF ANTIVIRAL AGENT AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME MPST, GART, DIMT1 ABCB11 3730/4885POLA1 637/4885POLG 685/4885

“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.