SCHEMBL3629258

SCHEMBL3629258

CC(C)OC(=O)NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CA2 P00918 2/20 0.33
ALOX15 P16050 1/20 0.33
CXCR2 P25025 3/20 0.33
CXCR1 P25024 2/20 0.33
HTT P42858 1/20 0.33
CA14 Q9ULX7 3/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CA12 O43570 3/20 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
SCHEMBL11864816 0.79 HTT (0.39) TSHRHPGDNPC1CYP1A2CYP2D6
SCHEMBL5640847 0.79 CA12 (0.34) CA2CXCR2CXCR1CA14CA12
SCHEMBL5639646 0.77 TSHR (0.37) TSHRHPGDNPC1CYP1A2CYP2D6
SCHEMBL26445212 0.77 TSHR (0.37) TSHRHPGDNPC1CYP1A2CYP2D6
SCHEMBL11494927 0.77 TSHR (0.37) TSHRHPGDNPC1CYP1A2CYP2D6
SCHEMBL29317125 0.76 TSHR (0.36) TSHRHPGDNPC1CYP1A2CYP2D6
SCHEMBL26444524 0.76 CA14 (0.42) TSHRHPGDNPC1CYP1A2CYP2D6
SCHEMBL29098401 0.74 CA1 (0.38) TSHRHPGDNPC1CYP1A2CYP2D6
SCHEMBL5639498 0.74
SCHEMBL4900591 0.73 CA14 (0.33) TSHRHPGDNPC1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US claimed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 US claimed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP claimed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO claimed
US-7820648-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2010-10-26 US disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 US disclosed
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US disclosed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 US disclosed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP disclosed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 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 (2 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-20060128642-A1 9-Ketospinosyn derivatives SNX9, NANS, BROX TSHR 3417/4885HPGD 1792/4885NPC1 721/4885
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH CCNB1, TYMS, CCNA1 TSHR 2018/4885HPGD 2938/4885NPC1 3051/4885

“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.