SCHEMBL20095064

SCHEMBL20095064

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
EPHX2 P34913 2/20 0.45
SRC P12931 1/20 0.42
TACR1 P25103 1/20 0.36
KLK5 Q9Y337 1/20 0.36
ATM Q13315 3/20 0.36
SYK P43405 1/20 0.35
ACE P12821 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29879933 1.00 KDM4E (0.46) KDM4EHPGDMAPTGLAGAA
SCHEMBL20095053 0.82 KLK5 (0.41) KDM4EHPGDMAPTALDH1A1HTT
SCHEMBL18123781 0.81 LMNA (0.37) KDM4EMAPTGAAALDH1A1HTT
SCHEMBL18867274 0.81 HPGD (0.43) KDM4EHPGDMAPTGLAGAA
SCHEMBL17145346 0.81 KLKB1 (0.46) KDM4EMAPTGAAALDH1A1HTT
SCHEMBL18123826 0.80 CTSK (0.40) MAPTEPHX2TACR1KLK5ACE
SCHEMBL12525444 0.78 HPGD (0.42) KDM4EHPGDMAPTGLAGAA
SCHEMBL29879880 0.78 CTSK (0.39) MAPTEPHX2TACR1KLK5ACE
SCHEMBL20089231 0.78 CTSK (0.39) MAPTEPHX2TACR1KLK5ACE
Hydrochloric Acid SCHEMBL29879996 0.78 LMNA (0.36) KDM4EHPGDMAPTGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2020-12-17 US disclosed
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2020-12-17 US disclosed
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-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-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 (5 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-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 KDM4E 3479/4885HPGD 1636/4885MAPT 4840/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B KDM4E 3369/4885HPGD 2255/4885MAPT 4595/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 KDM4E 3479/4885HPGD 1636/4885MAPT 4840/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 KDM4E 3479/4885HPGD 1636/4885MAPT 4840/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 KDM4E 3479/4885HPGD 1636/4885MAPT 4840/4885

“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.