SCHEMBL18285159

SCHEMBL18285159

CC(O)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)OC(C)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
ALOX5 P09917 4/20 0.39
TERT O14746 2/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PDE5A O76074 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PYGL P06737 2/20 0.36
CYP2C9 P11712 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
MME P08473 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
SCHEMBL20211507 1.00 KDM4E (0.40) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL18285008 0.99 KDM4E (0.39) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL20211549 0.89 ALOX5 (0.36) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL20211550 0.89 ALOX5 (0.36) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6809240 0.87 CA2 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL27536297 0.87 CA2 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL18285162 0.87 CA2 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6809242 0.87 CA2 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL29884782 0.81 PSMB2 (0.44) CA2
SCHEMBL29886327 0.81 PSMB2 (0.44) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793609-B2 Compressed pathways for nonribosomal molecular biosynthesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-10-06 US claimed
US-20180155400-A1 COMPRESSED PATHWAYS FOR NONRIBOSOMAL MOLECULAR BIOSYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-06-07 US claimed
WO-2016196940-A1 COMPRESSED PATHWAYS FOR NONRIBOSOMAL MOLECULAR BIOSYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-08 WO claimed
US-10793609-B2 Compressed pathways for nonribosomal molecular biosynthesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-10-06 US disclosed
US-10793609-B2 Compressed pathways for nonribosomal molecular biosynthesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-10-06 US disclosed
US-20180155400-A1 COMPRESSED PATHWAYS FOR NONRIBOSOMAL MOLECULAR BIOSYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-06-07 US disclosed
US-20180155400-A1 COMPRESSED PATHWAYS FOR NONRIBOSOMAL MOLECULAR BIOSYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-06-07 US disclosed
US-20180155400-A1 COMPRESSED PATHWAYS FOR NONRIBOSOMAL MOLECULAR BIOSYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-06-07 US disclosed
WO-2016196940-A1 COMPRESSED PATHWAYS FOR NONRIBOSOMAL MOLECULAR BIOSYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-08 WO 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 (2 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-20180155400-A1 COMPRESSED PATHWAYS FOR NONRIBOSOMAL MOLECULAR BIOSYNTHESIS VGF, COASY, VIP KDM4E 1909/4885ALDH1A1 4662/4885LMNA 2469/4885
US-10793609-B2 Compressed pathways for nonribosomal molecular biosynthesis VGF, COASY, VIP KDM4E 1909/4885ALDH1A1 4662/4885LMNA 2469/4885

“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.