SCHEMBL3729905

SCHEMBL3729905

CCOc1ccc(Br)c(C(=O)P(=O)(O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
TP53 P04637 2/20 0.41
PLK1 P53350 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
FADS1 O60427 1/20 0.40
MAPT P10636 2/20 0.40
PARP10 Q53GL7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
NQO1 P15559 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4006093 0.87 KDM4E (0.46) KDM4ETP53PLK1HPGDTSHR
SCHEMBL3988817 0.82 KDM4E (0.57) KDM4ETSHRHSD17B10FADS1MAPT
SCHEMBL4649128 0.82 TSHR (0.60) KDM4ETP53HPGDTSHRHSD17B10
SCHEMBL3745583 0.82 HPGD (0.54) KDM4EHPGDTSHRMAPTSMN1; SMN2
SCHEMBL4649271 0.81 KDM4E (0.51) KDM4EHPGDTSHRHSD17B10FADS1
SCHEMBL31225318 0.79 KDM4E (0.50) KDM4EHPGDTSHRHSD17B10MAPT
SCHEMBL4649362 0.79 KDM4E (0.50) KDM4EPLK1HPGDSMN1; SMN2ALDH1A1
SCHEMBL16955891 0.78 KDM4E (0.51) KDM4ETP53HPGDTSHRHSD17B10
SCHEMBL3731866 0.75 HPGD (0.50) KDM4EHPGDTSHRMAPTSMN1; SMN2
SCHEMBL16956952 0.74 KDM4E (0.47) KDM4ETP53HPGDTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 US disclosed
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2009-05-21 US disclosed
US-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 US disclosed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 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 (2 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-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 KDM4E 2075/4885TP53 1311/4885PLK1 2309/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 KDM4E 2075/4885TP53 1311/4885PLK1 2309/4885

“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.