SCHEMBL12410359

SCHEMBL12410359

CCCS(=O)(=O)CCOCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
LOX P28300 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL15529598 0.92 ALDH1A1 (0.41) ALDH1A1TSHRCA1CA2LOX
Ether SCHEMBL6610151 0.87 CA2 (0.33) CA1CA2
SCHEMBL1161080 0.84 ALDH1A1 (0.39) ALDH1A1TSHRKDM4ELMNAHTT
SCHEMBL28937510 0.82 CA2 (0.50) CA1CA2
SCHEMBL12056659 0.81 ALDH1A1 (0.50) ALDH1A1TSHRTHRB
SCHEMBL18177089 0.79 CA2 (0.38) ALDH1A1TSHRLMNAHTTCA1
SCHEMBL4359971 0.79 CA2 (0.40) TSHRCA1CA2
SCHEMBL277716 0.78 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL152599 0.78
SCHEMBL13173432 0.77 CA2 (0.33) TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140044672-A1 CONJUGATES OF A GM-CSF MOIETY AND A POLYMER NEKTAR THERAPEUTICS (US) 2014-02-13 US disclosed
US-20130096258-A1 POLYMER CONJUGATES OF GLP-1 NEKTAR THERAPEUTICS (US) 2013-04-18 US disclosed
US-8293869-B2 Polymer conjugates of GLP-1 NEKTAR THERAPEUTICS (US) 2012-10-23 US disclosed
US-20110171161-A1 POLYMER CONJUGATES OF PROTEGRIN PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-14 US disclosed
US-20110171163-A1 POLYMER CONJUGATES OF ZICONOTIDE PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-14 US disclosed
US-20110165113-A1 POLYMER CONJUGATES OF V681-LIKE PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 US disclosed
US-20100210505-A1 POLYMER CONJUGATES OF GLP-1 NEKTAR THERAPEUTICS AL, CORPORATION (US) 2010-08-19 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 (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-20110171163-A1 POLYMER CONJUGATES OF ZICONOTIDE PEPTIDES NGLY1, VIP, IAPP ALDH1A1 4383/4885TSHR 1342/4885KDM4E 4774/4885
US-20100210505-A1 POLYMER CONJUGATES OF GLP-1 GLP1R, GIPR, NGLY1 ALDH1A1 3046/4885TSHR 1453/4885KDM4E 1193/4885
US-20130096258-A1 POLYMER CONJUGATES OF GLP-1 GLP1R, GIPR, NGLY1 ALDH1A1 2730/4885TSHR 1056/4885KDM4E 1378/4885
US-20110171161-A1 POLYMER CONJUGATES OF PROTEGRIN PEPTIDES PSMG3, PSMB11, PSMC5 ALDH1A1 4840/4885TSHR 3722/4885KDM4E 4396/4885
US-20140044672-A1 CONJUGATES OF A GM-CSF MOIETY AND A POLYMER CSF3R, GMFG, CSF1R ALDH1A1 2146/4885TSHR 3521/4885KDM4E 4113/4885
US-20110165113-A1 POLYMER CONJUGATES OF V681-LIKE PEPTIDES NGLY1, VIP, DNPEP ALDH1A1 3859/4885TSHR 2797/4885KDM4E 4740/4885

“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.