SCHEMBL3743030

SCHEMBL3743030

CC(=O)c1ccc(OCCCN)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.61
POLB P06746 2/20 0.55
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
PLA2G4B P0C869 1/20 0.48
ALPG P10696 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL2056251 0.88 THRA (0.62) PRSS1POLBALDH1A1LMNATHRA
SCHEMBL9258258 0.86 POLB (0.60) PRSS1POLBALDH1A1LMNATHRA
SCHEMBL2213228 0.85 PRSS1 (0.56) PRSS1POLBALDH1A1LMNATHRA
SCHEMBL6259180 0.85 PRSS1 (0.56) PRSS1POLBALDH1A1LMNATHRA
Hydrochloric Acid SCHEMBL6259177 0.84 PRSS1 (0.57) PRSS1POLBALDH1A1LMNATHRA
SCHEMBL2339687 0.83 POLB (0.73) POLBALDH1A1LMNAMAPTKMT2A
SCHEMBL5150202 0.81 PRSS1 (0.64) PRSS1LMNATHRATHRBMAPT
SCHEMBL2698554 0.81 KMT2A (0.61) PRSS1POLBALDH1A1LMNAMAPT
SCHEMBL5149916 0.80 PRSS1 (0.56) PRSS1ALDH1A1LMNATHRATHRB
SCHEMBL10914101 0.80 ALDH1A1 (0.53) PRSS1POLBALDH1A1LMNAMAPT

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 7 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
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 PRSS1 350/4885POLB 2599/4885ALDH1A1 765/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PRSS1 350/4885POLB 2599/4885ALDH1A1 765/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PRSS1 350/4885POLB 2599/4885ALDH1A1 765/4885

“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.