Sugi Predict

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SCHEMBL46861

SCHEMBL46861

CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 3/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ TRPV4 Q9HBA0 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ GPR142 Q7Z601 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ BRAF P15056 4/20 0.38
▸ RAF1 P04049 2/20 0.38
▸ ELANE P08246 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ DAPK1 P53355 1/20 0.37
▸ WDR5 P61964 1/20 0.37

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
SCHEMBL46869 0.91 F10 (0.43) LCKMAPK14TRPV4KDM4EGAA
SCHEMBL10226211 0.90 TRPA1 (0.40) LCKMAPK14KDM4EGAARXFP1
SCHEMBL15420937 0.89 LCK (0.44) LCKMAPK14TRPV4KDM4EGAA
SCHEMBL15976090 0.88 LCK (0.42) LCKMAPK14TRPV4KDM4EGAA
SCHEMBL15957436 0.85 LCK (0.43) LCKMAPK14TRPV4KDM4EGAA
SCHEMBL46582 0.85 SLC34A2 (0.38) LCKTRPV4KDM4ERXFP1TRPA1
SCHEMBL46894 0.84 LCK (0.51) LCKMAPK14TRPV4RXFP1BRAF
SCHEMBL15444404 0.83 TRPV4 (0.43) LCKMAPK14TRPV4KDM4EGAA
SCHEMBL46581 0.83 F10 (0.43) LCKKDM4EGAARXFP1TRPA1
SCHEMBL44799 0.83 PHGDH (0.46) KDM4EGAARXFP1TRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 — — US disclosed
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 — — US disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 — — US disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 — — US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 — — US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 — — US disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 — — 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 (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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 LCK 4109/4885MAPK14 3324/4885TRPV4 580/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 LCK 4162/4885MAPK14 3507/4885TRPV4 440/4885

“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.