Sugi Predict

Sugi Predict / Compounds / SCHEMBL3743053

SCHEMBL3743053

SCHEMBL3743053

CCNCc1ccc(C(F)(F)P(=O)(OCC)OCC)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.38
▸ PTPN2 P17706 4/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ PTPRC P08575 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
SCHEMBL13078204 0.88 PTPN1 (0.37) PTPN1PTPN2S1PR2S1PR1S1PR3
SCHEMBL3735415 0.88 HTR2A (0.35) PTPN1PTPN2HTR1AHTR1DHTR1B
SCHEMBL3737589 0.84 PTPN1 (0.56) PTPN1PTPN2KMT2ANOTUMMAPT
SCHEMBL3733049 0.84 PTPN1 (0.38) PTPN1PTPN2NOTUMPTPRC
SCHEMBL3741679 0.84 PTPN1 (0.41) PTPN1PTPN2NOTUMPTPRC
SCHEMBL3731961 0.83 PTPN1 (0.54) PTPN1PTPN2PTPRC
SCHEMBL27696008 0.83 PTPN1 (0.40) PTPN1PTPN2NOTUMPTPRC
Bromide SCHEMBL3748691 0.82 PTPN1 (0.53) PTPN1PTPN2PTPRC
SCHEMBL3732106 0.82 ALDH1A1 (0.47) PTPN1PTPN2
SCHEMBL13077873 0.81 PTPN1 (0.34) PTPN1PTPN2MAPT

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 5/4885S1PR2 1748/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885S1PR2 1748/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885S1PR2 1748/4885

“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.