SCHEMBL46563

SCHEMBL46563

CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)N/C(N)=N/C(=N)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
LCK P06239 2/20 0.39
MAPK14 Q16539 2/20 0.39
GPR142 Q7Z601 1/20 0.39
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
RAF1 P04049 6/20 0.38
BRAF P15056 6/20 0.38
LMNA P02545 1/20 0.38
CSF1R P07333 1/20 0.37
DAPK1 P53355 1/20 0.37
WDR5 P61964 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDR P35968 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL10226202 0.89 APOBEC3A (0.38) KDM4EGAALCKMAPK14KCNH2
SCHEMBL15976088 0.88 TRPV4 (0.42) TRPV4KDM4EGAALCKMAPK14
SCHEMBL16842362 0.82 DRD4 (0.45) KDM4EGAALMNA
SCHEMBL46894 0.81 LCK (0.51) TRPV4LCKMAPK14RAF1BRAF
SCHEMBL46861 0.81 LCK (0.41) TRPV4KDM4EGAALCKMAPK14
SCHEMBL16842706 0.81 TRPV4 (0.39) TRPV4KDM4EGAALCKMAPK14
SCHEMBL15976090 0.80 LCK (0.42) TRPV4KDM4EGAALCKMAPK14
SCHEMBL15420937 0.80 LCK (0.44) TRPV4KDM4EGAALCKMAPK14
SCHEMBL15444404 0.80 TRPV4 (0.43) TRPV4KDM4EGAALCKMAPK14
SCHEMBL46961 0.80 NTRK1 (0.40) KDM4EMAPK14CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP 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-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 US disclosed
WO-2012006473-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO 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 (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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 TRPV4 580/4885KDM4E 3533/4885GAA 432/4885

“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.