SCHEMBL44753

SCHEMBL44753

CC(=O)OCCC#Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)NN=Cc2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 12/20 0.40
LCK P06239 1/20 0.36
TEK Q02763 1/20 0.36
RAF1 P04049 1/20 0.35
MAPT P10636 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC34A1 Q06495 1/20 0.34
SLC34A3 Q8N130 1/20 0.34
SLC20A1 Q8WUM9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
GFER P55789 1/20 0.34
ADCYAP1R1 P41586 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
SCHEMBL44752 1.00 SLC34A2 (0.40) SLC34A2LCKTEKRAF1MAPT
SCHEMBL45187 0.92 SLC34A2 (0.42) SLC34A2LCKTEKRAF1MAPT
SCHEMBL46929 0.92 SLC34A2 (0.42) SLC34A2LCKTEKRAF1MAPT
SCHEMBL15420809 0.91 SLC34A2 (0.40) SLC34A2LCKTEKRAF1MAPT
SCHEMBL40435 0.91 SLC34A2 (0.40) SLC34A2LCKTEKRAF1MAPT
SCHEMBL10274451 0.91 SLC34A2 (0.43) SLC34A2LCKTEKRAF1MAPT
SCHEMBL15421050 0.91 SLC34A2 (0.41) SLC34A2LCKTEKRAF1SLC34A1
SCHEMBL46633 0.91 SLC34A2 (0.41) SLC34A2LCKTEKRAF1SLC34A1
SCHEMBL46942 0.89 SLC34A2 (0.42) SLC34A2LCKTEKRAF1MAPT
SCHEMBL15421036 0.89 SLC34A2 (0.42) SLC34A2LCKTEKRAF1MAPT

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-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP 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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SLC34A2 2/4885LCK 4162/4885TEK 3463/4885

“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.