SCHEMBL46438

SCHEMBL46438

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(NCc3ccccc3)ncn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.40
SLC34A2 O95436 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
FLT3 P36888 1/20 0.38
ITK Q08881 1/20 0.38
CYP1A2 P05177 6/20 0.38
CYP2D6 P10635 6/20 0.38
TSHR P16473 5/20 0.38
CYP2C19 P33261 5/20 0.38
CLK4 Q9HAZ1 4/20 0.38
MAPK1 P28482 3/20 0.38
HIF1A Q16665 3/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C9 P11712 2/20 0.38
HDAC1 Q13547 1/20 0.38
CYP3A4 P08684 3/20 0.37

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
SCHEMBL40499 0.94 CYP1A2 (0.42) LOXL2SLC34A2SMN1; SMN2KITSRC
SCHEMBL6001518 0.93 SLC34A2 (0.40) LOXL2SLC34A2SMN1; SMN2KITSRC
SCHEMBL46629 0.92 SLC34A2 (0.51) LOXL2SLC34A2SMN1; SMN2CLK4ALDH1A1
SCHEMBL46550 0.91 SLC34A2 (0.40) LOXL2SLC34A2SMN1; SMN2KITSRC
SCHEMBL46949 0.89 SLC34A2 (0.42) LOXL2SLC34A2CYP1A2CYP2D6TSHR
SCHEMBL5998721 0.87 LOXL2 (0.44) LOXL2SMN1; SMN2KITSRCFLT3
SCHEMBL46430 0.86 SLC34A2 (0.47) SLC34A2SMN1; SMN2SRCALDH1A1MAPT
SCHEMBL19579983 0.86 SLC34A2 (0.46) SLC34A2SMN1; SMN2TSHRMAPK1TP53
SCHEMBL46432 0.86 SLC34A2 (0.46) SLC34A2ALDH1A1HSD17B10AURKA
SCHEMBL19580004 0.85 SLC34A2 (0.52) SLC34A2HDAC1PARP1

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 13 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 claimed
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
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US 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-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-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
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US 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 LOXL2 4303/4885SLC34A2 1/4885SMN1; SMN2 4868/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 LOXL2 4303/4885SLC34A2 1/4885SMN1; SMN2 4868/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 LOXL2 4391/4885SLC34A2 2/4885SMN1; SMN2 4864/4885

“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.