SCHEMBL6255231

SCHEMBL6255231

CCCCNCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA14 Q9ULX7 2/20 0.48
GAA P10253 1/20 0.48
EPHX2 P34913 1/20 0.45
TSHR P16473 4/20 0.44
RECQL P46063 1/20 0.43
ACHE P22303 5/20 0.42
EPHX1 P07099 3/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TET2 Q6N021 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.40
POLA1 P09884 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
Hydrochloric Acid SCHEMBL6507451 0.98 CA12 (0.47) CA12CA14GAAEPHX2TSHR
SCHEMBL24136964 0.93 EPHX1 (0.50) CA12CA14GAAEPHX2TSHR
SCHEMBL8177680 0.91 EPHX1 (0.53) CA12CA14GAAEPHX2TSHR
SCHEMBL6423984 0.91 EPHX1 (0.53) CA12CA14GAAEPHX2TSHR
SCHEMBL8922213 0.91 EPHX1 (0.53) CA12CA14GAAEPHX2TSHR
SCHEMBL15062648 0.91 EPHX1 (0.53) CA12CA14GAAEPHX2TSHR
SCHEMBL16487142 0.91 EPHX1 (0.53) CA12CA14GAAEPHX2TSHR
SCHEMBL9225755 0.91 EPHX1 (0.53) CA12CA14GAAEPHX2TSHR
SCHEMBL20521539 0.91 EPHX1 (0.53) CA12CA14GAAEPHX2TSHR
SCHEMBL15880649 0.91 EPHX1 (0.53) CA12CA14GAAEPHX2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002507591-A 2002-03-12 JP claimed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP claimed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 WO claimed
US-20230256121-A1 DOTA-HAPTEN COMPOSITIONS FOR ANTI-DOTA/ANTI-TUMOR ANTIGEN BISPECIFIC ANTIBODY PRETARGETED RADIOIMMUNOTHERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-08-17 US disclosed
EP-4006028-A1 IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR Zhuhai Yufan Biotechnologies Co., Ltd (CN) 2022-06-01 EP disclosed
EP-3928779-A1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. Chugai Seiyaku Kabushiki Kaisha (JP) 2021-12-29 EP 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-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
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 US disclosed
EP-1572065-A2 METHOD AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF MULTIPLE SCLEROSIS Rappaport Family Institute for Research in the Medical Sciences (IL) 2005-09-14 EP disclosed
WO-2002098346-A2 METHOD AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF MULTIPLE SCLEROSIS RAPPAPORT FAMILY INSTITUTE FOR RESEARCH IN THE MEDICAL SCIENCES (IL) 2002-12-12 WO disclosed
CN-1223636-A Matrix metalloproteinase inhibitors PHARMACIA & UPJOHN SPA (IT) 1999-07-21 CN 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 (7 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 CA12 598/4885CA14 851/4885GAA 4253/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B CA12 521/4885CA14 808/4885GAA 4023/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 CA12 598/4885CA14 851/4885GAA 4253/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 CA12 598/4885CA14 851/4885GAA 4253/4885
US-20230256121-A1 DOTA-HAPTEN COMPOSITIONS FOR ANTI-DOTA/ANTI-TUMOR ANTIGEN BISPECIFIC ANTIBODY PRETARGETED RADIOIMMUNOTHERAPY CD47, HLA-B, HLA-C CA12 9/4885CA14 6/4885GAA 98/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CA12 2295/4885CA14 1539/4885GAA 2717/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 CA12 598/4885CA14 851/4885GAA 4253/4885

“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.