SCHEMBL1827012

SCHEMBL1827012

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.51
CA1 P00915 5/20 0.51
KMT2A Q03164 3/20 0.48
SMYD3 Q9H7B4 2/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PIN1 Q13526 3/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
UBASH3B Q8TF42 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KLK7 P49862 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1827820 0.85 TAS1R3 (0.50) KMT2ASMYD3MEN1KDM4ELMNA
SCHEMBL1828604 0.84 PTPN1 (0.56) CA2CA1PIN1UBASH3BL3MBTL1
SCHEMBL13322387 0.82 SMYD3 (0.51) KMT2ASMYD3MEN1KDM4ELMNA
SCHEMBL12659172 0.77 SMYD3 (0.49) KMT2ASMYD3MEN1KDM4ELMNA
SCHEMBL12658563 0.75 ALDH1A1 (0.59) KDM4ELMNARAB9AALDH1A1
SCHEMBL6767250 0.75 RAB9A (0.64) KMT2ASMYD3MEN1KDM4ELMNA
SCHEMBL12984637 0.72 PIN1 (0.70) CA2CA1PIN1
SCHEMBL12984634 0.72 PIN1 (0.70) CA2CA1PIN1
SCHEMBL6768125 0.72 SMYD3 (0.55) KMT2ASMYD3MEN1KDM4ELMNA
SCHEMBL2792747 0.72 CA2 (0.66) CA2CA1CA12CA9

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 CA2 2519/4885CA1 960/4885KMT2A 4517/4885
US-20100323999-A1 Therapeutic Molecules and Methods-1 MIF, IL1B, IL1A CA2 2519/4885CA1 960/4885KMT2A 4517/4885

“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.