SCHEMBL46554

SCHEMBL46554

O=C(O)CNC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.59
BRAF P15056 4/20 0.40
RAF1 P04049 2/20 0.40
USP2 O75604 1/20 0.37
TLR9 Q9NR96 1/20 0.37
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CCR1 P32246 1/20 0.36
ROCK2 O75116 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDR P35968 1/20 0.36
SRPK2 P78362 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
SRPK3 Q9UPE1 1/20 0.36
GLS O94925 1/20 0.35

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
SCHEMBL45535 0.94 SLC34A2 (0.64) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL5999719 0.94 SLC34A2 (0.65) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL19579976 0.92 SLC34A2 (0.63) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL15444443 0.92 SLC34A2 (0.49) SLC34A2ROCK2SMN1; SMN2
SCHEMBL46436 0.91 SLC34A2 (0.59) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL19580034 0.90 SLC34A2 (0.59) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL19579940 0.90 SLC34A2 (0.58) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL39722 0.90 SLC34A2 (0.57) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL19580017 0.89 SLC34A2 (0.57) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL19580025 0.89 SLC34A2 (0.75) SLC34A2BRAFRAF1USP2TLR9

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 8 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
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 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 (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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885BRAF 3436/4885RAF1 3203/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885BRAF 3436/4885RAF1 3203/4885

“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.