SCHEMBL4897222

SCHEMBL4897222

CCOP(=O)(OCC)C(F)(F)c1ccc(Cn2c(-c3ccc(C(=O)OC)cc3)cn(C)c2=O)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
MAPK8 P45983 1/20 0.35
MAPK10 P53779 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
DRD2 P14416 1/20 0.33
TBXA2R P21731 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL4903207 0.90 NOTUM (0.37) NOTUMMAPK8MAPK10ALDH1A1SMN1; SMN2
SCHEMBL4891987 0.90 PTPN1 (0.40) NOTUMMAPK8MAPK10ALDH1A1SMN1; SMN2
SCHEMBL4903728 0.89 MAPK10 (0.40) NOTUMMAPK8MAPK10ALDH1A1SMN1; SMN2
SCHEMBL4903121 0.89 MAPK10 (0.40) NOTUMMAPK8MAPK10ALDH1A1SMN1; SMN2
SCHEMBL4901282 0.85 PTGS2 (0.36) MAPK8MAPK10
SCHEMBL4890553 0.82 PTPN1 (0.40) NOTUMMAPK8MAPK10ALDH1A1SMN1; SMN2
SCHEMBL4893908 0.82 PTPN2 (0.39) NOTUMMAPK8MAPK10ALDH1A1SMN1; SMN2
SCHEMBL4899310 0.82 PTPN1 (0.38) NOTUMMAPK8MAPK10ALDH1A1SMN1; SMN2
SCHEMBL4897885 0.82 MAPK10 (0.42) NOTUMMAPK8MAPK10ALDH1A1SMN1; SMN2
SCHEMBL5817911 0.81 PTPN1 (0.42) NOTUMMAPK8MAPK10ALDH1A1SMN1; SMN2

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 1 patent. 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 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 NOTUM 4398/4885MAPK8 682/4885MAPK10 656/4885

“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.