SCHEMBL2402783

SCHEMBL2402783

CCC(NC(=O)OCc1ccccc1)NC(CC)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.58
SYK P43405 1/20 0.55
ATM Q13315 1/20 0.55
CTSK P43235 5/20 0.54
CTSL P07711 5/20 0.54
CTSS P25774 5/20 0.54
CTSB P07858 3/20 0.54
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
ELANE P08246 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL16447670 0.87 CTSK (0.49) CTRB1SYKATMCTSKCTSL
SCHEMBL3911384 0.84 SYK (0.70) CTRB1SYKATMCTSKCTSL
SCHEMBL12220545 0.84 SYK (0.69) CTRB1SYKATMCTSKCTSL
SCHEMBL5275932 0.83 CTSK (0.59) CTRB1SYKATMCTSKCTSL
SCHEMBL30825010 0.83 CTSK (0.59) CTRB1SYKATMCTSKCTSL
SCHEMBL5275940 0.83 CTSK (0.59) CTRB1SYKATMCTSKCTSL
SCHEMBL6407665 0.83 ATM (0.59) CTRB1SYKATMCTSKCTSL
SCHEMBL2472067 0.83 SYK (0.56) CTRB1SYKATMCTSKCTSL
SCHEMBL13572927 0.83 ATM (0.59) CTRB1SYKATMCTSKCTSL
SCHEMBL6054417 0.83 SYK (0.56) CTRB1SYKATMCTSKCTSL

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 CTRB1 1590/4885SYK 1692/4885ATM 1814/4885
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 CTRB1 1590/4885SYK 1692/4885ATM 1814/4885

“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.