SCHEMBL1002898

SCHEMBL1002898

NNc1cccc(NN)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 1/20 0.50
LPAR3 Q9UBY5 1/20 0.50
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 2/20 0.46
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
PBRM1 Q86U86 1/20 0.42
FABP4 P15090 3/20 0.40
FABP3 P05413 2/20 0.40
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GPR35 Q9HC97 1/20 0.38
CDC25B P30305 1/20 0.37
KDM4E B2RXH2 5/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL9472562 0.87 PBRM1 (0.49) LPAR2LPAR3ALDH1A1MAPTPBRM1
SCHEMBL17627527 0.86 CES2 (0.48) LPAR2LPAR3GAAMEN1KMT2A
SCHEMBL2137697 0.86 PBRM1 (0.60) ALDH1A1MAPTPBRM1FABP4FABP3
Hydrochloric Acid SCHEMBL28022291 0.84 PBRM1 (0.58) ALDH1A1MAPTPBRM1FABP4FABP3
SCHEMBL17627520 0.81 POLB (0.55) ALDH1A1FABP4KDM4EGAAMEN1
SCHEMBL11291496 0.81 CA1 (0.46) LPAR2LPAR3CA12CA1CA2
SCHEMBL999307 0.77 MAPT (0.40) LPAR2LPAR3CA12CA1CA2
SCHEMBL143766 0.76 ALDH1A1 (0.59) ALDH1A1MAPTFABP4FABP3CDC25B
Hydrochloric Acid SCHEMBL1522753 0.74 FABP4 (0.57) ALDH1A1MAPTFABP4FABP3CDC25B
Bromide SCHEMBL20984528 0.74 FABP4 (0.57) ALDH1A1MAPTFABP4FABP3CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 LPAR2 1658/4885LPAR3 1071/4885CA12 3040/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 LPAR2 801/4885LPAR3 439/4885CA12 4407/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH LPAR2 1397/4885LPAR3 1451/4885CA12 4051/4885

“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.