SCHEMBL15420892

SCHEMBL15420892

O=C(COCCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1)OCCOCCOCCCN1CCN(CCOCCO)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.56
SMYD2 Q9NRG4 5/20 0.36
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
HTR2A P28223 2/20 0.34
BRAF P15056 5/20 0.34
RAF1 P04049 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HTR2C P28335 1/20 0.34
DRD2 P14416 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33

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
SCHEMBL15432739 0.90 SLC34A2 (0.60) SLC34A2SMYD2HTR2ABRAFRAF1
SCHEMBL16355206 0.90 SLC34A2 (0.59) SLC34A2SMYD2HTR2ABRAFRAF1
SCHEMBL15432752 0.86 SLC34A2 (0.63) SLC34A2KITFLT3BRAFRAF1
SCHEMBL16355209 0.85 SLC34A2 (0.62) SLC34A2BRAFRAF1GPR52
SCHEMBL19580025 0.85 SLC34A2 (0.75) SLC34A2BRAFRAF1
SCHEMBL15432736 0.85 SLC34A2 (0.75) SLC34A2BRAFRAF1
SCHEMBL46437 0.85 SLC34A2 (0.60) SLC34A2KITFLT3BRAFRAF1
SCHEMBL15432744 0.84 SLC34A2 (0.65) SLC34A2BRAFRAF1GPR52
SCHEMBL19580017 0.84 SLC34A2 (0.57) SLC34A2BRAFRAF1GPR52
SCHEMBL19579940 0.84 SLC34A2 (0.58) SLC34A2BRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SLC34A2 2/4885SMYD2 4638/4885KIT 3239/4885

“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.