SCHEMBL3732032

SCHEMBL3732032

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CN2CC=CC2)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.37
PTPN2 P17706 3/20 0.37
PTPRC P08575 2/20 0.33
KDM4E B2RXH2 1/20 0.33
FAAH O00519 1/20 0.32
RORC P51449 1/20 0.31
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL3748555 0.90 KDM4E (0.37) PTPN1PTPN2KDM4EFAAH
SCHEMBL3742676 0.90 KDM4E (0.37) PTPN1PTPN2KDM4EFAAH
SCHEMBL3742019 0.89 KDM4E (0.37) PTPN1PTPN2KDM4EFAAH
SCHEMBL3740736 0.88 ALDH1A1 (0.39) PTPN1PTPN2KDM4EFAAH
SCHEMBL3746469 0.87 HTT (0.46)
SCHEMBL3736625 0.84 PTPN1 (0.41) PTPN1PTPN2PTPRC
SCHEMBL3741682 0.84 PTPN1 (0.41) PTPN1PTPN2PTPRC
SCHEMBL4901320 0.82 POLB (0.38) PTPN1PTPN2PTPRCKDM4E
SCHEMBL4119750 0.81 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL3743057 0.81 PTPN1 (0.40) PTPN1PTPN2PTPRCS1PR1S1PR3

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 5 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
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US 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 2/4885PTPN2 5/4885PTPRC 21/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885PTPRC 21/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885PTPRC 21/4885

“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.