SCHEMBL4874209

SCHEMBL4874209

CC(C)(N)C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
PTPN1 P18031 3/20 0.48
PTPN11 Q06124 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PSMD14 O00487 1/20 0.44
MMP2 P08253 1/20 0.44
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44

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
SCHEMBL4874204 0.87 ALDH1A1 (0.53) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL12869803 0.83 ALDH1A1 (0.48) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL4864959 0.83 ALDH1A1 (0.48) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL3896317 0.82 ALDH1A1 (0.60) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL11457930 0.82 MEN1 (0.61) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL4864972 0.81 ALDH1A1 (0.46) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL2030467 0.81 CYP17A1 (0.54) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL3900126 0.78 KMT2A (0.57) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL5509037 0.78 MAPT (0.56) ALDH1A1HPGDPTPN1PTPN11MAPT
SCHEMBL5510635 0.78 ALDH1A1 (0.68) ALDH1A1HPGDPTPN1PTPN11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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 (4 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS ALDH1A1 2784/4885HPGD 3106/4885PTPN1 2637/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 ALDH1A1 1627/4885HPGD 2684/4885PTPN1 4686/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A ALDH1A1 1556/4885HPGD 4832/4885PTPN1 661/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 1357/4885HPGD 2973/4885PTPN1 3459/4885

“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.