SCHEMBL3743442

SCHEMBL3743442

Cc1ccc(Br)c(OP(=O)(O)C(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.32
ACHE P22303 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL2691549 0.84 PTPN1 (0.51) PTPN1SMN1; SMN2ABL1RIN1CYP1A2
SCHEMBL3747224 0.83 MEN1 (0.32) LMNAMAOB
SCHEMBL3735173 0.82 HPGD (0.39) SMN1; SMN2NPC1CYP1A2CYP2C9HPGD
SCHEMBL3735140 0.81
SCHEMBL3738158 0.79 MRGPRX4 (0.38) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL4861447 0.79 NPSR1 (0.36) PTPN1SMN1; SMN2MAPTHPGDCYP2C19
SCHEMBL3737738 0.79 KDM4E (0.43) SMN1; SMN2NPC1RAB9ATSHRKDM4E
SCHEMBL3740722 0.78 LMNA (0.36) SMN1; SMN2HPGDLMNAACHEGAA
SCHEMBL3733002 0.75 NCEH1 (0.44) PTPN1HPGDKDM4E
SCHEMBL3737965 0.74 TSHR (0.50) SMN1; SMN2MAPTNPC1HPGDRAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO claimed
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 PTPN1 2/4885SMN1; SMN2 831/4885MAPT 3112/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPN1 2/4885SMN1; SMN2 831/4885MAPT 3112/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885SMN1; SMN2 831/4885MAPT 3112/4885

“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.