SCHEMBL6476593

SCHEMBL6476593

NOCC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
IDO1 P14902 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
AGXT P21549 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
LMNA P02545 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
CDC25B P30305 1/20 0.47
PAM P19021 1/20 0.47
SLC15A1 P46059 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 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
SCHEMBL7185216 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1IDO1TDP1
SCHEMBL23001580 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL419807 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6700653 0.81 TDP1 (0.59) ALDH1A1MAPK1L3MBTL1IDO1TDP1
SCHEMBL15708326 0.81 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL3439041 0.81 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6951942 0.81 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL7634923 0.81 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
Hydrochloric Acid SCHEMBL6700651 0.80 TDP1 (0.58) ALDH1A1MAPK1L3MBTL1IDO1TDP1
SCHEMBL42974 0.80 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190336462-A1 USE OF HYDROGEN SULFIDE SYNTHESIS INHIBITORS FOR CANCER THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-11-07 US disclosed
US-10335382-B2 Use of hydrogen sulfide synthesis inhibitors for cancer therapy THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-02 US disclosed
US-20160095831-A1 USE OF HYDROGEN SULFIDE SYNTHESIS INHIBITORS FOR CANCER THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-07 US disclosed
US-20160095831-A1 USE OF HYDROGEN SULFIDE SYNTHESIS INHIBITORS FOR CANCER THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-07 US disclosed
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 US disclosed
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 US disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed
US-5252731-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 US disclosed
US-5110921-A Bactericides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 US disclosed
US-4960889-A CEPHALOSPORIN INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 US disclosed
US-4731443-A 7-acylamino-3-vinylcephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-15 US disclosed
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 US disclosed
US-4423213-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-27 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-20190336462-A1 USE OF HYDROGEN SULFIDE SYNTHESIS INHIBITORS FOR CANCER THERAPY CBS, CTH, HCCS ALDH1A1 919/4885MAPK1 2967/4885L3MBTL1 2218/4885
US-20160095831-A1 USE OF HYDROGEN SULFIDE SYNTHESIS INHIBITORS FOR CANCER THERAPY CBS, CTH, HCCS ALDH1A1 919/4885MAPK1 2967/4885L3MBTL1 2218/4885
US-10335382-B2 Use of hydrogen sulfide synthesis inhibitors for cancer therapy CBS, CTH, HCCS ALDH1A1 919/4885MAPK1 2967/4885L3MBTL1 2218/4885
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP ALDH1A1 583/4885MAPK1 3104/4885L3MBTL1 2554/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP ALDH1A1 583/4885MAPK1 3104/4885L3MBTL1 2554/4885

“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.