SCHEMBL46917

SCHEMBL46917

O=C(O)c1cccc(SCc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3C(=O)Nc3cnc(-c4ccccc4)nc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.48
F10 P00742 2/20 0.42
CXCR2 P25025 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CYP3A4 P08684 2/20 0.40
SLCO1B1 Q9Y6L6 2/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL40848 0.88 F10 (0.50) LRRK2F10RXFP1MAPTNPC1
SCHEMBL46897 0.86 LRRK2 (0.49) LRRK2F10RXFP1CYP3A4SLCO1B1
SCHEMBL40295 0.86 LRRK2 (0.49) LRRK2F10RXFP1CYP3A4SLCO1B1
SCHEMBL1696944 0.86 LRRK2 (0.47) LRRK2F10RXFP1CYP3A4SLCO1B1
SCHEMBL45586 0.83 LRRK2 (0.46) LRRK2F10RXFP1CYP3A4SLCO1B1
SCHEMBL46914 0.82 LRRK2 (0.43) LRRK2F10CYP3A4SLCO1B1
SCHEMBL40465 0.80 RXFP1 (0.52) LRRK2F10RXFP1MAPTNPC1
SCHEMBL15444419 0.80 LRRK2 (0.42) LRRK2F10RXFP1CYP3A4SLCO1B1
SCHEMBL10148534 0.78 LCK (0.42) LRRK2F10RXFP1KMT2A
SCHEMBL46889 0.77 F10 (0.37) LRRK2F10CYP3A4MAPTSMN1; SMN2

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 14 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
EP-2590965-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-04-20 EP disclosed
EP-2590965-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-04-20 EP disclosed
US-9289429-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
US-9289429-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
US-20150157637-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-11 US disclosed
US-20150157637-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-11 US disclosed
US-8809339-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-19 US disclosed
US-8809339-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-19 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
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
WO-2012006474-A2 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-20150157637-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 LRRK2 4388/4885F10 1711/4885CXCR2 1527/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 LRRK2 4304/4885F10 1866/4885CXCR2 3143/4885

“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.