SCHEMBL3746469

SCHEMBL3746469

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CN2CCOCC2)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.39
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37
TSHR P16473 1/20 0.37
ABL1 P00519 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL3742676 0.91 KDM4E (0.37) HTTRAB9A
SCHEMBL3748555 0.91 KDM4E (0.37) HTT
SCHEMBL3742019 0.90 KDM4E (0.37) HTTSMN1; SMN2RAB9A
SCHEMBL3740736 0.89 ALDH1A1 (0.39) MAPT
SCHEMBL3732032 0.87 PTPN1 (0.37)
SCHEMBL5987826 0.82 HTT (0.50) HTTSMN1; SMN2KMT2AHIF1AEPAS1
Bromide SCHEMBL3738626 0.81 HTT (0.49) HTTSMN1; SMN2KMT2AHIF1AEPAS1
SCHEMBL3736625 0.81 PTPN1 (0.41)
SCHEMBL3741682 0.81 PTPN1 (0.41)
SCHEMBL4901320 0.81 POLB (0.38) LMNASMN1; SMN2KMT2AKCNH2

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 2394/4885LMNA 4192/4885SMN1; SMN2 831/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 HTT 2394/4885LMNA 4192/4885SMN1; SMN2 831/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 HTT 2394/4885LMNA 4192/4885SMN1; 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.