SCHEMBL3736638

SCHEMBL3736638

O=C(c1cc(I)ccc1Br)P(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPRA P18433 1/20 0.35
PTPRB P23467 1/20 0.35
PTPRE P23469 1/20 0.35
PTPN6 P29350 1/20 0.35
AR P10275 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
GSK3B P49841 1/20 0.31
POLB P06746 2/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
TPMT P51580 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 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
SCHEMBL203554 0.78 PTPN1 (0.50) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1670382 0.76 PTPN2 (0.37) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL8282570 0.76 ERN1 (0.42) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL3745583 0.73 HPGD (0.54) POLBMAPTRAB9A
SCHEMBL204305 0.72 SOS1 (0.45) ABL1POLBMAPTCA12CA7
SCHEMBL20308954 0.72 TRPV1 (0.39) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL8398518 0.72 ALDH1A1 (0.43) PTPRCPOLBMAPT
SCHEMBL13377370 0.72 MAOA (0.43) POLBMAPTRAB9A
SCHEMBL13381243 0.72 HPGD (0.43) POLBMAPTRAB9ACA12CA7
SCHEMBL25475685 0.70 MYC (0.40) PTPRCPTPN2PTPN1PTPRAPTPRB

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 PTPRC 21/4885PTPN2 5/4885PTPN1 2/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPRC 21/4885PTPN2 5/4885PTPN1 2/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPRC 21/4885PTPN2 5/4885PTPN1 2/4885

“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.