SCHEMBL1828604

SCHEMBL1828604

O=C(NC(Cc1ccccc1)C(=O)O)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
CA2 P00918 3/20 0.54
ACE P12821 2/20 0.54
CA1 P00915 2/20 0.54
GPR132 Q9UNW8 2/20 0.54
PYGL P06737 1/20 0.54
AGTR2 P50052 2/20 0.51
PIN1 Q13526 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CCKAR P32238 1/20 0.48
CCKBR P32239 1/20 0.48
UBASH3B Q8TF42 1/20 0.48

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
SCHEMBL12658563 0.88 ALDH1A1 (0.59) ACEPYGL
SCHEMBL1827012 0.84 CA2 (0.51) CA2CA1PIN1L3MBTL1UBASH3B
SCHEMBL2998841 0.79 F11 (0.65) PTPN1CA2ACECA1GPR132
SCHEMBL2998848 0.79 F11 (0.65) PTPN1CA2ACECA1GPR132
SCHEMBL111235 0.78 ACE (0.76) PTPN1CA2ACECA1GPR132
SCHEMBL528464 0.78 ACE (0.76) PTPN1CA2ACECA1GPR132
SCHEMBL111236 0.78 ACE (0.76) PTPN1CA2ACECA1GPR132
SCHEMBL6786437 0.77 AGTR2 (0.56) PTPN1CA2ACECA1GPR132
SCHEMBL6790346 0.77 AGTR2 (0.56) PTPN1CA2ACECA1GPR132
SCHEMBL6786433 0.77 AGTR2 (0.56) PTPN1CA2ACECA1GPR132

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US claimed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US claimed
US-20060154977-A1 Therapeutic molecules and methods-1 CORTICAL PTY LTD, CORPORATION 2006-07-13 US claimed
EP-1511736-A4 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2006-06-07 EP claimed
EP-1511736-A1 THERAPEUTIC MOLECULES AND METHODS-1 Cortical Pty Ltd (AU) 2005-03-09 EP claimed
WO-2003104203-A1 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2003-12-18 WO claimed
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-20060154977-A1 Therapeutic molecules and methods-1 CORTICAL PTY LTD, CORPORATION 2006-07-13 US disclosed
EP-1511736-A4 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2006-06-07 EP disclosed
EP-1511736-A1 THERAPEUTIC MOLECULES AND METHODS-1 Cortical Pty Ltd (AU) 2005-03-09 EP disclosed
WO-2003104203-A1 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2003-12-18 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 (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-20060154977-A1 Therapeutic molecules and methods-1 MIF, IL1B, IL1A PTPN1 2239/4885CA2 2519/4885ACE 796/4885
US-20100323999-A1 Therapeutic Molecules and Methods-1 MIF, IL1B, IL1A PTPN1 2239/4885CA2 2519/4885ACE 796/4885

“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.