SCHEMBL4898616

SCHEMBL4898616

O=C(O)COc1ccc(Cn2ccn(Cc3ccc(CP(=O)(OF)OF)c(Br)c3)c2=O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.36
PPARD Q03181 2/20 0.35
PTPN1 P18031 1/20 0.35
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ADRB3 P13945 4/20 0.34
ACHE P22303 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
AKR1B1 P15121 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
SCHEMBL4890842 0.90 LMNA (0.38) TSHRNPC1NFKB1RAB9ANFKB2
SCHEMBL4903501 0.82 ALDH1A1 (0.43) TDP1THRB
SCHEMBL4898615 0.81 PTPN1 (0.45) TDP1TSHRCYP2C19PTPN1
SCHEMBL4901226 0.78 MAPK10 (0.46) RAB9A
SCHEMBL4894929 0.74 PTPN1 (0.41) PTPN1
SCHEMBL4890840 0.71 PTPN1 (0.38) TSHRPTPN1NPC1NFKB1RAB9A
SCHEMBL4900439 0.69 HTT (0.36) TDP1TSHRRAB9ATHRB
SCHEMBL4902980 0.69 THRA (0.32) PTPN1ACHETHRATHRB
SCHEMBL4894137 0.68 CYP2D6 (0.43) TDP1CYP2C19
SCHEMBL27715890 0.67 HDAC3 (0.31)

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 3 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
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 WO 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 TDP1 483/4885TSHR 1439/4885CYP2C19 3325/4885

“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.