SCHEMBL3746463

SCHEMBL3746463

CCOP(=O)(OCC)C(F)(F)c1ccc(CN2CCOCC2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
HIF1A Q16665 4/20 0.38

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
SCHEMBL3742667 0.90 KDM4E (0.41) HTTSMN1; SMN2KDM4ETSHRRAB9A
SCHEMBL3748551 0.90 KDM4E (0.41) HTTSMN1; SMN2KDM4ETSHRALDH1A1
SCHEMBL3742012 0.89 KDM4E (0.40) HTTSMN1; SMN2KDM4ETSHRRAB9A
SCHEMBL3740731 0.88 ALDH1A1 (0.43) KDM4ERAB9AHPGDNPC1TP53
SCHEMBL3732029 0.85 KDM4E (0.36) HTTKDM4ETSHRALDH1A1
SCHEMBL5987826 0.83 HTT (0.50) HTTKMT2ASMN1; SMN2TSHRRAB9A
Bromide SCHEMBL3738626 0.82 HTT (0.49) HTTKMT2ASMN1; SMN2TSHRRAB9A
SCHEMBL3746469 0.80 HTT (0.46) HTTKMT2ASMN1; SMN2TSHRRAB9A
SCHEMBL4901312 0.79 POLB (0.40) KMT2AKDM4EHPGDALDH1A1LMNA
SCHEMBL3741679 0.79 PTPN1 (0.41) LMNA

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 HTT 2394/4885KMT2A 2684/4885SMN1; SMN2 831/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 HTT 2394/4885KMT2A 2684/4885SMN1; SMN2 831/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 HTT 2394/4885KMT2A 2684/4885SMN1; SMN2 831/4885

“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.