SCHEMBL20095014

SCHEMBL20095014

CC(=O)c1cc2c(OC(=O)OCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)C)c3ccccc3c(OC(=O)OC(C)(C)C)c2o1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
TACR1 P25103 2/20 0.36
EPHX2 P34913 2/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.33
MAP1LC3A Q9H492 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KLK5 Q9Y337 2/20 0.33
KLK7 P49862 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
PPARA Q07869 1/20 0.33
SCN9A Q15858 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL29879880 0.93 CTSK (0.39) CTSKTACR1EPHX2KLK5KLK7
SCHEMBL20089231 0.93 CTSK (0.39) CTSKTACR1EPHX2KLK5KLK7
SCHEMBL18123826 0.91 CTSK (0.40) CTSKTACR1EPHX2KLK5KLK7
SCHEMBL18116059 0.91 CTSK (0.40) CTSKTACR1EPHX2HDAC4HDAC1
SCHEMBL22788552 0.90 CTSK (0.35) CTSKTACR1EPHX2MAP1LC3BMAP1LC3A
SCHEMBL20821695 0.79 SYK (0.33)
SCHEMBL18123829 0.79 L3MBTL1 (0.30)
SCHEMBL18123781 0.78 LMNA (0.37)
SCHEMBL20095053 0.77 KLK5 (0.41) CTSKTACR1EPHX2KLK5KLK7
SCHEMBL20089228 0.77 HSD17B10 (0.32) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 US disclosed
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2019-03-21 US disclosed
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2019-01-22 US disclosed
US-20180111914-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2018-04-26 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 (4 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-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B CTSK 3924/4885TACR1 246/4885EPHX2 1468/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 CTSK 4278/4885TACR1 884/4885EPHX2 1748/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 CTSK 4278/4885TACR1 884/4885EPHX2 1748/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 CTSK 4278/4885TACR1 884/4885EPHX2 1748/4885

“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.