SCHEMBL3706013

SCHEMBL3706013

COC(=O)Cc1cccc(C(N)CCO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.56
CFD P00746 2/20 0.47
TPSB2 P20231 2/20 0.47
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
F2 P00734 4/20 0.41
F10 P00742 4/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
PRSS1 P07477 3/20 0.38
TLR7 Q9NYK1 3/20 0.37
F11 P03951 1/20 0.37

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
SCHEMBL3706015 1.00 SLC7A5 (0.56) SLC7A5CFDTPSB2CYP4F2CYP4A11
SCHEMBL8186958 0.79 SLC7A5 (0.56) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL21839394 0.78 SLC7A5 (0.52) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL732469 0.78 SLC7A5 (0.76) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL4613338 0.78 SLC7A5 (0.76) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL693509 0.78 SLC7A5 (0.76) SLC7A5ALDH1A1GAAGFERHSP90AB1
Hydrochloric Acid SCHEMBL4863108 0.77 SLC7A5 (0.74) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL1990343 0.77 SLC7A5 (0.54) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL27649234 0.77 SLC7A5 (0.54) SLC7A5CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL12400239 0.77 SLC7A5 (0.68) SLC7A5CYP4F2CYP4A11ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432768-B1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-07-05 EP disclosed
US-9533978-B2 Pyrimidine derivatives and their use in the treatment of cancer and further diseases SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2017-01-03 US disclosed
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2015-03-19 US disclosed
CN-102482233-A Novel pyrimidine derivatives and their use in the treatment of cancer and other diseases ASTRAZENECA AB SE 2012-05-30 CN disclosed
US-20120122867-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES ASTRAZENECA UK LIMITED (GB) 2012-05-17 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 (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-20120122867-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES TYMS, TYMP, DPYD SLC7A5 1369/4885CFD 2744/4885TPSB2 2199/4885
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases TYMS, TYMP, DPYD SLC7A5 1369/4885CFD 2744/4885TPSB2 2199/4885

“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.