SCHEMBL18482714

SCHEMBL18482714

CC(C)COC(=O)N1CCN(CCN(C)Cc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.44
HRH4 Q9H3N8 1/20 0.36
BRAF P15056 6/20 0.36
RAF1 P04049 2/20 0.36
ROS1 P08922 2/20 0.36
ALK Q9UM73 1/20 0.36
MRGPRX2 Q96LB1 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TEK Q02763 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
MET P08581 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL39969 0.92 SLC34A2 (0.45) SLC34A2HRH4BRAFRAF1SMYD2
SCHEMBL40112 0.91 SLC34A2 (0.48) SLC34A2HRH4BRAFRAF1SMYD2
SCHEMBL46529 0.90 SLC34A2 (0.46) SLC34A2HRH4BRAFRAF1SMYD2
SCHEMBL40739 0.88 SLC34A2 (0.46) SLC34A2HRH4BRAFRAF1SMYD2
SCHEMBL39823 0.88 SLC34A2 (0.46) SLC34A2HRH4BRAFRAF1KDM4E
SCHEMBL15432568 0.88 SLC34A2 (0.45) SLC34A2HRH4BRAFRAF1SMYD2
SCHEMBL39748 0.85 SLC34A2 (0.41) SLC34A2HRH4BRAFSMYD2KDM4E
SCHEMBL46676 0.85 SLC34A2 (0.43) SLC34A2HRH4BRAFRAF1MRGPRX2
SCHEMBL46766 0.84 SLC34A2 (0.49) SLC34A2HRH4BRAFRAF1SMYD2
SCHEMBL46466 0.84 SLC34A2 (0.41) SLC34A2HRH4BRAFRAF1MRGPRX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885HRH4 1665/4885BRAF 3436/4885

“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.