SCHEMBL3733036

SCHEMBL3733036

O=P(O)(O)C(F)(F)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
ALDH1A1 P00352 8/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 4/20 0.46
AGTR1 P30556 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
PKM P14618 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL13041690 1.00 MEN1 (0.52) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL3733042 1.00 MEN1 (0.52) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL3742657 0.83 ALDH1A1 (0.48) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL3742661 0.83 MAPT (0.45) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL13078117 0.82 MEN1 (0.49) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL5408528 0.72 PTPN1 (0.48)
SCHEMBL3740561 0.72 PTPN1 (0.44) ALDH1A1POLB
SCHEMBL3740555 0.72 PTPN1 (0.52) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL6636064 0.70 MEN1 (0.78) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL10027947 0.70 MEN1 (0.78) MEN1KMT2AALDH1A1POLBSMN1; 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 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 MEN1 3695/4885KMT2A 2684/4885ALDH1A1 765/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 MEN1 3695/4885KMT2A 2684/4885ALDH1A1 765/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 MEN1 3695/4885KMT2A 2684/4885ALDH1A1 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.