SCHEMBL4766529

SCHEMBL4766529

CC(C)NCCCNS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.61
CA1 P00915 8/20 0.61
CA2 P00918 8/20 0.61
CA9 Q16790 8/20 0.61
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.54
PRMT1 Q99873 1/20 0.51
ALDH1A1 P00352 4/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.47
DHFR P00374 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL10773830 0.90 CA9 (0.65) CA12CA1CA2CA9CYP3A4
SCHEMBL6291291 0.81 ALDH1A1 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL10738787 0.81 MEN1 (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL10691913 0.81 CYP2C9 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL4085333 0.80 CA12 (0.80) CA12CA1CA2CA9CYP3A4
SCHEMBL11280924 0.80 CA12 (0.59) CA12CA1CA2CA9CYP3A4
SCHEMBL4768191 0.79 GAA (0.49) CA12CA1CA2CA9CYP3A4
SCHEMBL1082403 0.79 CA12 (0.77) CA12CA1CA2CA9CYP3A4
SCHEMBL3704958 0.79 CA12 (0.71) CA12CA1CA2CA9CYP3A4
SCHEMBL4770148 0.78 GAA (0.47) CA12CA1CA2CA9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US disclosed
US-20030216406-A1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2003-11-20 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 (1 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-20030216406-A1 Pyrimidine derivatives TYMP, TYMS, CCNT1 CA12 4578/4885CA1 3010/4885CA2 2742/4885

“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.