SCHEMBL46435

SCHEMBL46435

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCCCCCCCCCCCCNC(=O)c3ccnc(-c4cc(N5CCCCC5)ccc4NC(=O)c4cccc(CSCCC(=O)O)c4)c3)ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.47
HDAC1 Q13547 6/20 0.43
HDAC3 O15379 5/20 0.43
SMYD2 Q9NRG4 6/20 0.41
KDM5B Q9UGL1 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM5A P29375 1/20 0.38
KDM5C P41229 1/20 0.38
LMNA P02545 1/20 0.35
PDE5A O76074 1/20 0.35
KDM1A O60341 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL19579964 0.96 SLC34A2 (0.48) SLC34A2HDAC1HDAC3SMYD2KDM5B
SCHEMBL19579947 0.91 SLC34A2 (0.53) SLC34A2HDAC1SMYD2KDM1A
SCHEMBL19580004 0.91 SLC34A2 (0.52) SLC34A2HDAC1KDM1A
SCHEMBL19595685 0.90 SLC34A2 (0.46) SLC34A2HDAC1TP53MAPT
SCHEMBL19579983 0.90 SLC34A2 (0.46) SLC34A2KDM4ELMNATP53MAPT
SCHEMBL19579965 0.90 SLC34A2 (0.47) SLC34A2HDAC1SMYD2KDM5BKDM4E
SCHEMBL19579984 0.89 SLC34A2 (0.46) SLC34A2HDAC1HDAC3
SCHEMBL19579978 0.89 SLC34A2 (0.51) SLC34A2HDAC1KDM1A
SCHEMBL19579973 0.89 SLC34A2 (0.53) SLC34A2HDAC1SMYD2LMNAKDM1A
SCHEMBL19579952 0.89 SLC34A2 (0.49) SLC34A2HDAC1KDM1AMAPT

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 9 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
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 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 (3 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 1/4885HDAC1 2715/4885HDAC3 2951/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885HDAC1 2715/4885HDAC3 2951/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SLC34A2 2/4885HDAC1 3309/4885HDAC3 3108/4885

“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.