SCHEMBL539930

SCHEMBL539930

C=Cc1ccc(C(=O)N[C@@H](CCCCN)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.52
▸ TAS1R1 Q7RTX1 2/20 0.52
▸ CA2 P00918 7/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ ERAP2 Q6P179 4/20 0.48
▸ LNPEP Q9UIQ6 4/20 0.48
▸ ERAP1 Q9NZ08 2/20 0.48
▸ HPGDS O60760 1/20 0.48
▸ CTSB P07858 1/20 0.46
▸ FOLH1 Q04609 2/20 0.46
▸ C3AR1 Q16581 1/20 0.46
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45

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
SCHEMBL539929 1.00 TAS1R3 (0.52) TAS1R3TAS1R1CA2CA1CA12
SCHEMBL9716710 0.83 ERAP2 (0.55) CA2CA1CA12CA9ERAP2
SCHEMBL9716715 0.83 ERAP2 (0.55) CA2CA1CA12CA9ERAP2
SCHEMBL7034236 0.83 LNPEP (0.60) CA2CA1CA12CA9ERAP2
SCHEMBL7034241 0.83 LNPEP (0.60) CA2CA1CA12CA9ERAP2
SCHEMBL607886 0.83 ITGB3 (0.60) CA2CA1CA12CA9ERAP2
SCHEMBL607885 0.83 ITGB3 (0.60) CA2CA1CA12CA9ERAP2
SCHEMBL24518200 0.82 CA2 (0.55) CA2CA1CA12CA9ERAP2
SCHEMBL1767664 0.82 CA2 (0.55) CA2CA1CA12CA9ERAP2
SCHEMBL6815759 0.82 CA2 (0.55) CA2CA1CA12CA9ERAP2

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-8778846-B2 Composition, device and associated method GENERAL ELECTRIC COMPANY (US) 2014-07-15 — — US disclosed
US-8778845-B2 Composition, device and associated method GENRAL ELECTRIC COMPANY (US) 2014-07-15 — — US disclosed
US-8765643-B2 Composition, device and associated method GENERAL ELECTRIC COMPANY (US) 2014-07-01 — — US disclosed
US-8741813-B2 Composition, device and associated method GENERAL ELECTRIC COMPANY (US) 2014-06-03 — — US disclosed
US-20140072956-A1 COMPOSITION, DEVICE AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2014-03-13 — — US disclosed
US-20120122734-A1 COMPOSITION, DEVICE AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2012-05-17 — — US disclosed
US-20120122735-A1 COMPOSITION, DEVICE AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2012-05-17 — — US disclosed
US-20120122733-A1 COMPOSITION, DEVICE AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2012-05-17 — — US disclosed
EP-2100142-B1 COMPOSITION, DEVICE AND ASSOCIATED METHOD GEN ELECTRIC (US) 2012-02-08 — — EP disclosed
EP-2122351-B1 COMPOSITION AND METHOD FOR THE DETECTION OF ANALYTES USING POLYMERIZATION BASED SIGNAL AMPLIFICATION GEN ELECTRIC (US) 2011-10-19 — — EP disclosed
EP-2122351-A2 COMPOSITION AND METHOD FOR THE DETECTION OF ANALYTES USING POLYMERIZATION BASED SIGNAL AMPLIFICATION General Electric Company (US) 2009-11-25 — — EP disclosed
EP-2100142-A1 COMPOSITION, DEVICE AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2009-09-16 — — EP disclosed
WO-2008127779-A2 COMPOSITION AND METHOD FOR THE DETECTION OF ANALYTES USING POLYMERIZATION BASED SIGNAL AMPLIFICATION GENERAL ELECTRIC COMPANY (US) 2008-10-23 — — WO disclosed
WO-2008070639-A1 COMPOSITION, DEVICE AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-06-12 — — 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 (1 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-20120122734-A1 COMPOSITION, DEVICE AND ASSOCIATED METHOD KIT, S100B, CACYBP TAS1R3 3090/4885TAS1R1 2208/4885CA2 1550/4885

“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.

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