SCHEMBL13041702

SCHEMBL13041702

CCN(CCc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1)C(=O)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.43
PTPN2 P17706 3/20 0.43
HTR5A P47898 1/20 0.42
RAF1 P04049 1/20 0.39
MAP2K1 Q02750 1/20 0.39
PTPRC P08575 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
GPR88 Q9GZN0 4/20 0.35
NPY2R P49146 2/20 0.35

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
SCHEMBL3737387 1.00 PTPN1 (0.43) PTPN1PTPN2HTR5ARAF1MAP2K1
SCHEMBL3732064 0.90 HTR5A (0.41) PTPN1PTPN2HTR5ARAF1MAP2K1
SCHEMBL3732067 0.88 HTR5A (0.38) PTPN1PTPN2HTR5ARAF1MAP2K1
SCHEMBL28771260 0.82 HTR5A (0.42) HTR5ARAF1MAP2K1SIGMAR1GPR88
SCHEMBL3742564 0.81 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL3743087 0.80 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL3735591 0.80 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL3745755 0.79 PTPN1 (0.46) PTPN1PTPN2PTPRCSIGMAR1
SCHEMBL13041696 0.79 PTPN1 (0.46) PTPN1PTPN2PTPRCSIGMAR1
SCHEMBL3743444 0.71 SIGMAR1 (0.45) SIGMAR1

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 8 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-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-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-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-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 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 (2 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 5/4885HTR5A 2959/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885HTR5A 2959/4885

“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.