SCHEMBL4903501

SCHEMBL4903501

O=C(O)c1ccc(Cn2ccn(Cc3ccc(CP(=O)(OF)OF)c(Br)c3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK10 P53779 1/20 0.43
RHEB Q15382 2/20 0.41
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MCHR1 Q99705 1/20 0.36
ENPP2 Q13822 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33
APEX1 P27695 1/20 0.33
APOBEC3A P31941 1/20 0.33

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
SCHEMBL4901226 0.89 MAPK10 (0.46) ALDH1A1MAPK10KDM4EUSP2GAA
SCHEMBL4901306 0.83 ALDH1A1 (0.39) ALDH1A1MAPK10RHEBMCHR1MEN1
SCHEMBL4898616 0.82 TDP1 (0.40) THRBTDP1
SCHEMBL4895489 0.82 ALDH1A1 (0.39) ALDH1A1MAPK10RHEBMCHR1L3MBTL1
SCHEMBL4898669 0.82 ALDH1A1 (0.39) ALDH1A1MAPK10RHEBMCHR1L3MBTL1
SCHEMBL4889733 0.81 ALDH1A1 (0.38) ALDH1A1MAPK10RHEBMCHR1POLB
SCHEMBL4894929 0.80 PTPN1 (0.41)
SCHEMBL4901698 0.80 ALDH1A1 (0.38) ALDH1A1MAPK10RHEBMCHR1MEN1
SCHEMBL4900439 0.79 HTT (0.36) ALDH1A1MAPK10MEN1KMT2AKDM4E
SCHEMBL4901549 0.78 ALDH1A1 (0.34) ALDH1A1MAPK10RHEBMCHR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS ALDH1A1 3704/4885MAPK10 656/4885RHEB 1672/4885

“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.