SCHEMBL3748663

SCHEMBL3748663

COC(=O)c1ccccc1OCCCCN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
HSP90AA1 P07900 2/20 0.59
HTT P42858 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 5/20 0.55
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SLC6A3 Q01959 2/20 0.54
NR1I2 O75469 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
OPRK1 P41145 1/20 0.54

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
SCHEMBL7072440 0.90 HSP90AA1 (0.58) MAPTHSP90AA1HTTNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL6181188 0.89 HSP90AA1 (0.57) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL6770205 0.86 MAPT (0.68) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL4448505 0.84 MAPT (0.59) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL22324528 0.84 LMNA (0.70) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL9309481 0.84 LMNA (0.70) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL7954710 0.84 LMNA (0.70) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL22439001 0.84 LMNA (0.70) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL14438107 0.84 LMNA (0.70) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL31406534 0.84 LMNA (0.70) MAPTHSP90AA1HTTNPSR1ALDH1A1

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 8 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
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN disclosed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US 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 (3 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 MAPT 3112/4885HSP90AA1 420/4885HTT 2394/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 MAPT 3112/4885HSP90AA1 420/4885HTT 2394/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 MAPT 3112/4885HSP90AA1 420/4885HTT 2394/4885

“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.