SCHEMBL215652

SCHEMBL215652

N[C@@H](Cc1ccc(C[P@@](=O)(O)OO)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.56
SLC7A5 Q01650 3/20 0.56
PTPN1 P18031 2/20 0.55
PTGS1 P23219 2/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
XIAP P98170 1/20 0.54
TYR P14679 5/20 0.48
TPH1 P17752 1/20 0.48
GRB2 P62993 1/20 0.48
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ALOX15 P16050 1/20 0.47
HTR2A P28223 1/20 0.47
PTGS2 P35354 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL12501710 0.83 PTPRC (0.67) PTPRCSLC7A5PTPN1PTGS1ALPI
SCHEMBL738555 0.83 PTPRC (0.67) PTPRCSLC7A5PTPN1PTGS1ALPI
SCHEMBL738554 0.83 PTPRC (0.67) PTPRCSLC7A5PTPN1PTGS1ALPI
Hydrochloric Acid SCHEMBL9556546 0.82 PTPRC (0.65) PTPRCSLC7A5PTPN1PTGS1ALPI
Hydrochloric Acid SCHEMBL9556543 0.82 PTPRC (0.65) PTPRCSLC7A5PTPN1PTGS1ALPI
SCHEMBL2310526 0.79 SLC7A5 (0.83) PTPRCSLC7A5PTPN1PTGS1ALPI
SCHEMBL6719582 0.78 SLC7A5 (0.56) PTPRCSLC7A5PTPN1PTGS1ALPI
Tyrosine SCHEMBL9715667 0.78 SLC7A5 (0.80) PTPRCSLC7A5PTPN1PTGS1ALPI
Tyrosine SCHEMBL8934985 0.77 SLC7A5 (0.86) PTPRCSLC7A5PTPN1PTGS1ALPI
Tyrosine SCHEMBL15689273 0.77 SLC7A5 (0.86) PTPRCSLC7A5PTPN1PTGS1ALPI

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US disclosed
EP-1147214-B1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS UNIV NEW YORK STATE RES FOUND (US) 2011-01-05 EP disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 US disclosed
US-7070936-B1 Method for designing protein kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-07-04 US disclosed
US-20060089401-A1 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2006-04-27 US disclosed
US-7005445-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-02-28 US disclosed
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2006-02-09 US disclosed
EP-1444204-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-08-11 EP disclosed
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-09-04 US disclosed
WO-2003035621-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-05-01 WO disclosed
EP-1147214-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-10-24 EP disclosed
WO-2000042213-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-07-20 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 (6 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 PTPRC 19/4885SLC7A5 4300/4885PTPN1 4/4885
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 PTPRC 21/4885SLC7A5 4315/4885PTPN1 5/4885
US-20060089401-A1 Kinase inhibitors MAP3K5, MAP3K20, MAP4K5 PTPRC 176/4885SLC7A5 3427/4885PTPN1 69/4885
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides PTK2B, GRK2, FRK PTPRC 433/4885SLC7A5 4340/4885PTPN1 1253/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 PTPRC 615/4885SLC7A5 4765/4885PTPN1 1927/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 PTPRC 21/4885SLC7A5 4315/4885PTPN1 5/4885

“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.