Sugi Predict

Sugi Predict / Compounds / SCHEMBL544795

SCHEMBL544795

SCHEMBL544795

CC(C)(C)CC(C)(C)[C@@H](N)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 2/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CACNA2D1 P54289 2/20 0.32
▸ ADRA1A P35348 2/20 0.32
▸ GRIK1 P39086 1/20 0.32
▸ CACNB3 P54284 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CACNA2D2 Q9NY47 1/20 0.32
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ GABRA2 P47869 2/20 0.32

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
SCHEMBL28194885 0.80 SLC22A6 (0.35) GABRR1SLC22A6LMNACACNA2D1ADRA1A
SCHEMBL6514480 0.78 GABRR1 (0.33) GABRR1SLC22A6LMNACACNA2D1ADRA1A
SCHEMBL636538 0.77 SLC22A6 (0.39) GABRR1SLC22A6LMNACACNA2D1ADRA1A
SCHEMBL288806 0.77 SLC22A6 (0.39) GABRR1SLC22A6LMNACACNA2D1ADRA1A
SCHEMBL1120178 0.77 SLC22A6 (0.39) GABRR1SLC22A6LMNACACNA2D1ADRA1A
Hydrochloric Acid SCHEMBL14321732 0.75 KDM4E (0.39) GABRR1SLC22A6LMNACACNA2D1ADRA1A
Water SCHEMBL31634615 0.75 SLC22A6 (0.38) GABRR1SLC22A6LMNACACNA2D1ADRA1A
SCHEMBL7344981 0.75 ADRA1A (0.40) GABRR1SLC22A6LMNACACNA2D1ADRA1A
SCHEMBL289017 0.73 ALDH1A1 (0.50) GABRR1SLC22A6LMNACACNA2D1ADRA1A
SCHEMBL19228114 0.73 PTGS1 (0.50) GRIK1ALDH1A1MAPTPTGS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466292-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2013-06-18 — — US disclosed
US-8110579-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI-AVENTIS (FR) 2012-02-07 — — US disclosed
US-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-13 — — 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 (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-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 GABRR1 1043/4885SLC22A6 2342/4885LMNA 2060/4885

“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.