SCHEMBL9501992

SCHEMBL9501992

O=C(O)CC(O)(CC(=O)OC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O.[NaH].[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
SLC13A5 Q86YT5 6/20 0.38
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
ACLY P53396 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
KMT2A Q03164 2/20 0.33
CPT2 P23786 1/20 0.32
GMNN O75496 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
SCHEMBL6534838 0.98 ALDH1A1 (0.65) ALDH1A1SLC13A5KDM4ELMNATSHR
SCHEMBL8352056 0.96 ALDH1A1 (0.62) ALDH1A1SLC13A5KDM4ELMNATSHR
SCHEMBL28305443 0.96 ALDH1A1 (0.62) ALDH1A1SLC13A5KDM4ELMNATSHR
SCHEMBL21067072 0.91 ALDH1A1 (0.68) ALDH1A1SLC13A5KDM4ELMNATSHR
SCHEMBL27657762 0.91 ALDH1A1 (0.68) ALDH1A1SLC13A5KDM4ELMNATSHR
SCHEMBL544775 0.91 ALDH1A1 (0.68) ALDH1A1SLC13A5KDM4ELMNATSHR
Water SCHEMBL25257573 0.89 ALDH1A1 (0.65) ALDH1A1SLC13A5KDM4ELMNATSHR
Water SCHEMBL27742166 0.89 ALDH1A1 (0.65) ALDH1A1SLC13A5KDM4ELMNATSHR
SCHEMBL28158130 0.89 ALDH1A1 (0.65) ALDH1A1SLC13A5KDM4ELMNATSHR
Water SCHEMBL26692025 0.89 ALDH1A1 (0.65) ALDH1A1SLC13A5KDM4ELMNATSHR

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
EP-3927801-A1 STABLE ANHYDROUS FOAMING AND GELLING HAND SOAP CONCENTRATE AND METHOD OF MAKING SAME One Home Brands, Inc. (US) 2021-12-29 EP disclosed
US-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2019-09-12 US disclosed
EP-3473616-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2019-04-24 EP disclosed
US-10238609-B2 Cyanide antidote compositions and methods of use SAM HOUSTON STATE UNIVERSITY (US) 2019-03-26 US disclosed
US-20170071876-A1 CYANIDE ANTIDOTE COMPOSITIONS AND METHODS OF USE SAM HOUSTON STATE UNIVERSITY 2017-03-16 US disclosed
US-9456996-B2 Formulations of dimethyl trisulfide for use as a cyanide antidote SAM HOUSTON STATE UNIVERSITY (US) 2016-10-04 US disclosed
US-9375407-B2 Dimethyl trisulfide as a cyanide antidote SAM HOUSTON STATE UNIVERSITY (US) 2016-06-28 US disclosed
US-20150297535-A1 FORMULATIONS OF DIMETHYL TRISULFIDE FOR USE AS A CYANIDE ANTIDOTE US ARMY, SECRETARY OF THE ARMY 2015-10-22 US disclosed
WO-2015157750-A1 FORMULATIONS OF DIMETHYL TRISULFIDE FOR USE AS A CYANIDE ANTIDOTE SAM HOUSTON STATE UNIVERSITY (US) 2015-10-15 WO disclosed
US-20150290143-A1 DIMETHYL TRISULFIDE AS A CYANIDE ANTIDOTE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2015-10-15 US disclosed
US-20150290323-A1 DIALKYL TRISULFIDES AND FORMULATIONS OF DIALKYL TRISULFIDES FOR USE AS A CYANIDE ANTIDOTE US ARMY, SECRETARY OF THE ARMY 2015-10-15 US disclosed
WO-2015157752-A1 DIALKYL TRISULFIDES AND FORMULATIONS OF DIALKYL TRISULFIDES FOR USE AS A CYANIDE ANTIDOTE SAM HOUSTON STATE UNIVERSITY (US) 2015-10-15 WO disclosed
WO-2015157749-A2 DIMETHYL TRISULFIDE AS A CYANIDE ANTIDOTE SAM HOUSTON STATE UNIVERSITY (US) 2015-10-15 WO disclosed
US-20140120159-A1 CYANIDE ANTIDOTE COMPOSITIONS AND METHODS OF USE SAM HOUSTON UNIVERSITY (US) 2014-05-01 US disclosed
CN-1771996-A Effervescent pearl tablet and its prepn SHANGHAI LEIYUNSHANG PHARMACEU (CN) 2006-05-17 CN disclosed
EP-0550690-A1 POLYHYDROXY FATTY ACID AMIDE SURFACTANTS IN BLEACH-CONTAINING DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1993-07-14 EP 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 (6 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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF CTR9, PYCR1, ACAD9 ALDH1A1 960/4885SLC13A5 130/4885KDM4E 2371/4885
US-20140120159-A1 CYANIDE ANTIDOTE COMPOSITIONS AND METHODS OF USE CYCS, ABCB7, MB ALDH1A1 2367/4885SLC13A5 443/4885KDM4E 4300/4885
US-20150290323-A1 DIALKYL TRISULFIDES AND FORMULATIONS OF DIALKYL TRISULFIDES FOR USE AS A CYANIDE ANTIDOTE DEK, TST, CYCS ALDH1A1 4507/4885SLC13A5 692/4885KDM4E 4359/4885
US-10238609-B2 Cyanide antidote compositions and methods of use CYCS, ABCB7, MB ALDH1A1 2367/4885SLC13A5 443/4885KDM4E 4300/4885
US-20150297535-A1 FORMULATIONS OF DIMETHYL TRISULFIDE FOR USE AS A CYANIDE ANTIDOTE MGMT, CDIPT, CYCS ALDH1A1 4799/4885SLC13A5 649/4885KDM4E 4054/4885
US-20170071876-A1 CYANIDE ANTIDOTE COMPOSITIONS AND METHODS OF USE CYCS, ABCB7, MB ALDH1A1 2367/4885SLC13A5 443/4885KDM4E 4300/4885

“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.