SCHEMBL3935680

SCHEMBL3935680

[CH2]C(=O)N(C)C(C(=O)O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.35
TP53 P04637 1/20 0.33
SLC7A5 Q01650 1/20 0.33
GABRR1 P24046 2/20 0.30

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
SCHEMBL18125943 0.80 ADAMTS4 (0.37) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL20488172 0.80 ADAMTS4 (0.37) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL7189454 0.78 ADAMTS4 (0.36) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL7189450 0.78 ADAMTS4 (0.36) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL23118418 0.76 ADAMTS4 (0.35) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL19924637 0.76 ALDH1A1 (0.39) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL23296642 0.76 ADAMTS4 (0.35) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL23296644 0.76 ADAMTS4 (0.35) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL19924640 0.76 ALDH1A1 (0.39) ADAMTS4TP53SLC7A5GABRR1
SCHEMBL28906020 0.76 SLC7A5 (0.39) ADAMTS4TP53SLC7A5GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490058-A Antiviral agents GENELABS TECH INC (US) 2009-07-22 CN claimed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed
CN-101528741-A Polycyclic viral inhibitors GENELABS TECH INC (US) 2009-09-09 CN disclosed
CN-101490058-A Antiviral agents GENELABS TECH INC (US) 2009-07-22 CN 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
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS ADAMTS4 1658/4885TP53 1790/4885SLC7A5 2780/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 ADAMTS4 3204/4885TP53 1923/4885SLC7A5 2210/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ADAMTS4 1956/4885TP53 3049/4885SLC7A5 2808/4885

“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.