SCHEMBL3020262

SCHEMBL3020262

CC(C)(C)C(CCCNC(=O)O)NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FOLH1 Q04609 1/20 0.33
OTC P00480 1/20 0.33
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
PGGT1B P53609 2/20 0.31
MAPK1 P28482 2/20 0.31
CA2 P00918 1/20 0.31
PRSS1 P07477 2/20 0.30
CTSG P08311 2/20 0.30
CTRB1 P17538 2/20 0.30
CMA1 P23946 2/20 0.30

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
SCHEMBL4070665 0.81 MMP1 (0.34) MEN1GAAKMT2APTGS1KCNH2
SCHEMBL29029802 0.81 CA2 (0.50) MAPK1CA2PRSS1CTSGCTRB1
SCHEMBL333214 0.79 MEN1 (0.32) MEN1GAAKMT2AMAPK1CA2
SCHEMBL793739 0.79 CPB2 (0.46) MEN1KMT2ACYP2D6FOLH1
SCHEMBL2400833 0.79 GSR (0.48) FOLH1
SCHEMBL3647951 0.79 MEN1 (0.32) MEN1GAAKMT2AMAPK1CA2
SCHEMBL9995723 0.79 MMP3 (0.39) MEN1GAAKMT2APTGS1KCNH2
SCHEMBL3659774 0.78 PRSS1 (0.35) MEN1GAAKMT2AFOLH1MAPK1
SCHEMBL4352303 0.77 MEN1 (0.43) MEN1GAAKMT2ASMN1; SMN2CYP2D6
SCHEMBL224143 0.76 ALDH1A1 (0.37) MEN1GAAKMT2ASMN1; SMN2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189679-A1 CROSSLINKED POLYALLYLAMINE OR ACID ADDITION SALT THEREOF, AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2010-07-29 US disclosed
EP-2168992-A1 CROSSLINKED POLYALLYLAMINE OR ACID ADDITION SALT THEREOF, AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2010-03-31 EP 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 (1 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-20100189679-A1 CROSSLINKED POLYALLYLAMINE OR ACID ADDITION SALT THEREOF, AND USE THEREOF FOR MEDICAL PURPOSES SLC6A12, SLC20A1, SLC20A2 MEN1 939/4885GAA 749/4885KMT2A 1437/4885

“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.