SCHEMBL10311844

SCHEMBL10311844

COCCC(=O)NCCC=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ CNR1 P21554 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ LPAR1 Q92633 1/20 0.37
▸ LPAR2 Q9HBW0 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL10311846 0.89 TSHR (0.59) TSHRCNR1KDM4ELMNAHPGD
SCHEMBL12834917 0.85 TSHR (0.53) TSHRCNR1KDM4ELMNAHPGD
SCHEMBL13347916 0.80 CNR1 (0.60) TSHRCNR1KDM4ELMNAHPGD
SCHEMBL10311845 0.80 SPR (0.41) TSHRKDM4ELMNAHPGDALDH1A1
SCHEMBL16329672 0.79 ALDH1A1 (0.41) TSHRCNR1MEN1KMT2AALDH1A1
SCHEMBL14956865 0.79 SMN1; SMN2 (0.40) TSHRCNR1HPGDALDH1A1HTT
SCHEMBL1569761 0.78 TSHR (0.59) TSHRCNR1KDM4ELMNAHPGD
SCHEMBL1569763 0.78 TSHR (0.59) TSHRCNR1KDM4ELMNAHPGD
SCHEMBL21821634 0.78 TSHR (0.84) TSHRCNR1KDM4ELMNAHPGD
SCHEMBL2124170 0.78 TSHR (0.59) TSHRCNR1KDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714419-B2 PEGylated tyrosyl-tRNA synthetase polypeptides ATYR PHARMA, INC. (US) 2017-07-25 — — US disclosed
US-20150159148-A1 PEGYLATED ASPARTYL-TRNA SYNTHETASE POLYPEPTIDES ATYR PHARMA, INC. 2015-06-11 — — US disclosed
US-8927488-B2 Pegylated C-peptide CEBIX, INC. (US) 2015-01-06 — — US disclosed
US-20140255378-A1 PEGYLATED TYROSYL-TRNA SYNTHETASE POLYPEPTIDES ATYR PHARMA, INC (US) 2014-09-11 — — US disclosed
US-20120220542-A1 PEGYLATED C-PEPTIDE CEBIX, INC. (US) 2012-08-30 — — US disclosed
US-20120178676-A1 PEGYLATED C-PEPTIDE CEBIX, INC. (US) 2012-07-12 — — US disclosed
US-20070166277-A1 Polymeric reagents comprising a ketone or a related functional group NEKTAR THERAPEUTICS 2007-07-19 — — US disclosed
US-7208145-B2 Useful for providing conjugates with other substances NEKTAR THERAPEUTICS AL, CORPORATION (US) 2007-04-24 — — 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 (4 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-20150159148-A1 PEGYLATED ASPARTYL-TRNA SYNTHETASE POLYPEPTIDES AARS1, GARS1, DARS1 TSHR 554/4885CNR1 4259/4885KDM4E 4368/4885
US-20120220542-A1 PEGYLATED C-PEPTIDE LNPEP, NGLY1, PRCP TSHR 991/4885CNR1 2564/4885KDM4E 4570/4885
US-20070166277-A1 Polymeric reagents comprising a ketone or a related functional group TKT, KHK, KLK5 TSHR 3097/4885CNR1 4121/4885KDM4E 365/4885
US-20120178676-A1 PEGYLATED C-PEPTIDE LNPEP, NGLY1, PRCP TSHR 991/4885CNR1 2564/4885KDM4E 4570/4885

“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.

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