SCHEMBL2399503

SCHEMBL2399503

CCCCCCCCCOc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA9 Q16790 5/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
ACAT1 P24752 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
MMP1 P03956 1/20 0.53
PLA2G4B P0C869 1/20 0.52

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
SCHEMBL750350 0.91 NPC1 (0.60) CA12CA1CA2CA9NPC1
SCHEMBL24386011 0.90 CA12 (0.60) CA12CA1CA2CA9NPC1
SCHEMBL28570651 0.88 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17825485 0.85 TP53 (0.56) KMT2AMAPTHTTTP53TSHR
SCHEMBL752387 0.85 CA12 (0.54) CA12CA1CA2CA9NPC1
SCHEMBL8253006 0.85 CA12 (0.54) CA12CA1CA2CA9NPC1
SCHEMBL9490019 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11758823 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL26554581 0.84 THRA (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13459410 0.84 NPC1 (0.76) CA12CA1CA2CA9NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539389-B1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2017-12-20 EP disclosed
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2017-09-14 US disclosed
US-9655920-B2 Amine polymers for use as bile acid sequestrants RELYPSA, INC. (US) 2017-05-23 US disclosed
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2014-12-04 US disclosed
EP-2539389-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 EP disclosed
WO-2011106548-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2011-09-01 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-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 CA12 3730/4885CA1 4256/4885CA2 3436/4885
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 CA12 3730/4885CA1 4256/4885CA2 3436/4885

“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.