SCHEMBL17253261

SCHEMBL17253261

CC(=O)OCCSSCCOC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 3/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
PGR P06401 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
HTR1A P08908 1/20 0.48
CHRNB2 P17787 1/20 0.48
TBXA2R P21731 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRNA10 Q9GZZ6 1/20 0.48
CHRNA9 Q9UGM1 1/20 0.48
GALR3 O60755 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL1040128 0.91 ALDH1A1 (0.43) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL4343290 0.91 ALDH1A1 (0.43) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL12109957 0.91 ALDH1A1 (0.54) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL16327847 0.91 ALDH1A1 (0.48) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL12103657 0.91 ALDH1A1 (0.43) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL12103912 0.89 ALDH1A1 (0.41) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL16256310 0.89 TSHR (0.56) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL16665531 0.89 TSHR (0.43) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL7112528 0.87
SCHEMBL12103815 0.87 NAAA (0.45) ALDH1A1TSHRCHRM5CHRM1CHRM3

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-20180125986-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2018-05-10 US disclosed
US-9844599-B2 Nitric oxide releasing produgs of therapeutic agents SATYAM APPARAO (IN) 2017-12-19 US disclosed
US-20170073452-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF THE UNIVERSITY OF WESTERN ONTARIO (CA) 2017-03-16 US disclosed
US-20170073452-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF THE UNIVERSITY OF WESTERN ONTARIO (CA) 2017-03-16 US disclosed
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2015-11-19 US disclosed
WO-2015168809-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF THE UNIVERSITY OF WESTERN ONTARIO (CA) 2015-11-12 WO 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 (3 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-20180125986-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, NOS3 ALDH1A1 303/4885TSHR 2059/4885CHRM5 873/4885
US-20170073452-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF IDUA, IDE, PUF60 ALDH1A1 4449/4885TSHR 4560/4885CHRM5 4312/4885
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, PTGIS ALDH1A1 291/4885TSHR 2137/4885CHRM5 803/4885

“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.