SCHEMBL1116005

SCHEMBL1116005

O=C(O)c1ccc(CCNc2ccccc2C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
HPGD P15428 2/20 0.72
HSD17B10 Q99714 2/20 0.72
POLB P06746 1/20 0.72
CTDSP1 Q9GZU7 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
KDM6B O15054 3/20 0.57
KDM4C Q9H3R0 3/20 0.57
KDM4E B2RXH2 2/20 0.54
AGTR1 P30556 1/20 0.54
RAB9A P51151 1/20 0.54
PLK1 P53350 4/20 0.53
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.51
PLK3 Q9H4B4 3/20 0.51
ASPH Q12797 1/20 0.51
RIOX2 Q8IUF8 1/20 0.51
KDM8 Q8N371 1/20 0.51
HCAR2 Q8TDS4 1/20 0.48
LMNA P02545 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
Enfenamic Acid SCHEMBL25191 0.90 KDM6B (0.68) ALDH1A1HPGDHSD17B10POLBCTDSP1
Enfenamic Acid SCHEMBL10935569 0.89 KDM6B (0.66) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL1116010 0.83 KDM6B (0.59) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL9193642 0.83 HDAC1 (0.54) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL27823112 0.82 RXFP1 (0.60) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL28655011 0.81 KDM6B (0.57) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL8689214 0.81 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL4897624 0.81 KDM6B (0.69) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL7028744 0.80 L3MBTL1 (0.63) ALDH1A1HPGDHSD17B10POLBCTDSP1
SCHEMBL13199682 0.79 KDM6B (0.70) ALDH1A1HPGDHSD17B10POLBCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 US disclosed
US-7605175-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH AG (DE) 2009-10-20 US disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed
US-7135550-B2 Compositions and methods for isolating ligand binding polypeptides for a user-specified ligand, and for isolating small molecule ligands for a user-specified target polypeptide using an improved class of hybrid ligand compounds GPC BIOTECH INC. (US) 2006-11-14 US disclosed
EP-1364212-A4 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2005-05-04 EP disclosed
US-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
US-20040043388-A1 Three hybrid assay system GPC BIOTECH AG (DE) 2004-03-04 US disclosed
EP-1364212-A2 THREE HYBRID ASSAY SYSTEM GPC Biotech AG (DE) 2003-11-26 EP disclosed
US-20030165873-A1 For isolating ligand binding polypeptides; fusion proteins; drug screening; kits; surface plasmon resonance GPC BIOTECH AG (DE) 2003-09-04 US disclosed
WO-2002070662-A2 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2002-09-12 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 (5 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-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI ALDH1A1 3909/4885HPGD 2171/4885HSD17B10 2661/4885
US-20030165873-A1 For isolating ligand binding polypeptides; fusion proteins; drug screening; kits; surface plasmon resonance MST1R, PLAUR, SPR ALDH1A1 4533/4885HPGD 4116/4885HSD17B10 3572/4885
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI ALDH1A1 3909/4885HPGD 2171/4885HSD17B10 2661/4885
US-20040043388-A1 Three hybrid assay system ACKR3, KLK3, TIMCC ALDH1A1 4527/4885HPGD 3923/4885HSD17B10 2803/4885
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI ALDH1A1 3909/4885HPGD 2171/4885HSD17B10 2661/4885

“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.