SCHEMBL20095068

SCHEMBL20095068

CCCCNCC(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
FAAH O00519 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
GPR18 Q14330 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47

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
SCHEMBL4975630 0.94 FAAH (0.50) GAAFAAHMEN1KMT2AALDH1A1
SCHEMBL3419664 0.92 FAAH (0.53) GAAFAAHMEN1KMT2AALDH1A1
SCHEMBL4985640 0.92 FAAH (0.49) GAAFAAHMEN1KMT2AALDH1A1
SCHEMBL1330451 0.88 FAAH (0.42) GAAFAAHMEN1KMT2AALDH1A1
SCHEMBL164713 0.85
SCHEMBL2446612 0.85 GAA (0.52) GAAMEN1KMT2AALDH1A1ALOX15
SCHEMBL28528638 0.83 GAA (0.56) GAAFAAHMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6618473 0.83 GAA (0.50) GAAMEN1KMT2AALDH1A1ALOX15
Ammonia Solution, Strong SCHEMBL4280114 0.83 GAA (0.50) GAAMEN1KMT2AALDH1A1ALOX15
SCHEMBL11702957 0.83 GAA (0.50) GAAMEN1KMT2AALDH1A1ALOX15

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 6 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-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
WO-2020022892-A1 TUBULYSIN DERIVATIVES AND METHODS FOR PREPARING THE SAME RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-01-30 WO 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 GAA 4253/4885FAAH 4139/4885MEN1 2116/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B GAA 4023/4885FAAH 4001/4885MEN1 2396/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 GAA 4253/4885FAAH 4139/4885MEN1 2116/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 GAA 4253/4885FAAH 4139/4885MEN1 2116/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 GAA 4253/4885FAAH 4139/4885MEN1 2116/4885

“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.