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Sugi Predict / Compounds / SCHEMBL3736015

SCHEMBL3736015

SCHEMBL3736015

CCOP(=O)(OCC)C(F)(F)c1ccc(CN(CC)CC)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.38
▸ PTPN2 P17706 5/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HTR1A P08908 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
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL3733049 0.90 PTPN1 (0.38) PTPN1PTPN2
SCHEMBL3732880 0.89 PTPN1 (0.41) PTPN1PTPN2HRH3HTR7ALDH1A1
SCHEMBL3741679 0.84 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL4119714 0.83 PTPN1 (0.50) PTPN1PTPN2HDAC6HDAC8
SCHEMBL27696008 0.83 PTPN1 (0.40) PTPN1PTPN2
SCHEMBL7188073 0.82 PTPN1 (0.36) PTPN1PTPN2
Bromide SCHEMBL3735944 0.82 PTPN1 (0.49) PTPN1PTPN2HDAC6HDAC8
SCHEMBL3747185 0.82 PTPN1 (0.38) PTPN1PTPN2NPSR1
SCHEMBL7182085 0.81 PTPN1 (0.37) PTPN1PTPN2
SCHEMBL3800605 0.81 PTPN1 (0.39) PTPN1PTPN2TSHRMAPK1

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 PTPN1 2/4885PTPN2 5/4885HDAC6 2868/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885HDAC6 2868/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885HDAC6 2868/4885

“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.