Sugi Predict

Sugi Predict / Compounds / SCHEMBL4620459

SCHEMBL4620459

SCHEMBL4620459

CC(C)(C)OC(=O)N(c1cccc(C(F)(F)F)c1)c1cc(Cl)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.46
▸ RXRB P28702 2/20 0.46
▸ RXRG P48443 2/20 0.46
▸ KDR P35968 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ TNNI3K Q59H18 2/20 0.37
▸ BRAF P15056 1/20 0.37
▸ EGFR P00533 3/20 0.37
▸ CSF1R P07333 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ LIPE Q05469 2/20 0.36
▸ KMO O15229 1/20 0.35
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ KCNE1 P15382 1/20 0.35
▸ KCNQ1 P51787 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL14017748 0.85 MT-CO2 (0.39) RXRARXRBRXRGLIPENPSR1
SCHEMBL4620148 0.84 RXRA (0.47) RXRARXRBRXRGKDRMAPK14
SCHEMBL7782549 0.76 RXRA (0.54) RXRARXRBRXRGKDRMAPK14
SCHEMBL1042710 0.76 TRPV1 (0.51) KDRMAPK14TNNI3KBRAFMAPT
SCHEMBL5916967 0.76 TRPV1 (0.55) RXRARXRBRXRGKDRMAPK14
SCHEMBL1042009 0.76 KDR (0.39) KDRMAPK14TNNI3KBRAF
SCHEMBL5802953 0.75 RXFP1 (0.42) RXRARXRBRXRGRXFP1HSD17B1
SCHEMBL30041665 0.75 RORC (0.39) RXRARXRBRXRGEGFRCSF1R
SCHEMBL440958 0.73 RXFP1 (0.43) RXFP1HSD17B1HSD17B2MAPTNPSR1
SCHEMBL5917020 0.73 TRPV1 (0.57) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 — — EP disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 — — WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 — — US disclosed
US-20060235036-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-10-19 — — 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 (2 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-20060235036-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 RXRA 1171/4885RXRB 1229/4885RXRG 380/4885
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 RXRA 1450/4885RXRB 1760/4885RXRG 374/4885

“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.