SCHEMBL4891987

SCHEMBL4891987

COC(=O)c1ccc(-c2cn(C)c(=O)n2Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.40
PTPN2 P17706 5/20 0.40
NOTUM Q6P988 1/20 0.40
PTPRC P08575 2/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5817911 0.90 PTPN1 (0.42) PTPN1PTPN2NOTUMPTPRCMAPK8
SCHEMBL4890553 0.90 PTPN1 (0.40) PTPN1PTPN2NOTUMPTPRCMAPK8
SCHEMBL4901693 0.90 PTPN1 (0.44) PTPN1PTPN2PTPRCMAPK10ALDH1A1
SCHEMBL4899310 0.90 PTPN1 (0.38) PTPN1PTPN2NOTUMPTPRCMAPK8
SCHEMBL4897222 0.90 NOTUM (0.38) NOTUMMAPK8MAPK10ALDH1A1SMN1; SMN2
SCHEMBL4901328 0.88 MAPK10 (0.42) PTPN1PTPN2NOTUMPTPRCMAPK8
SCHEMBL4898651 0.88 PTPN1 (0.42) PTPN1PTPN2NOTUMPTPRCMAPK8
SCHEMBL4893908 0.88 PTPN2 (0.39) PTPN1PTPN2NOTUMPTPRCMAPK8
SCHEMBL4903704 0.88 MAPK10 (0.42) PTPN1PTPN2NOTUMPTPRCMAPK8
SCHEMBL4892730 0.88 KDM4E (0.47) PTPN1PTPN2NOTUMPTPRCMAPK8

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
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
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 WO 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 PTPN1 13/4885PTPN2 27/4885NOTUM 4398/4885

“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.