SCHEMBL13596237

SCHEMBL13596237

C[C@H](c1ccccc1)N(CC(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ RIPK1 Q13546 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 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
SCHEMBL13596208 1.00 ALOX5 (0.44) ALOX5KDM4EATMMTORHSD11B1
SCHEMBL13993964 0.79 PGR (0.45) ALOX5KDM4EMTORHSD11B1RIPK1
SCHEMBL13992412 0.78 SLC6A2 (0.42) —
SCHEMBL29069788 0.71 ATM (0.43) KDM4EATMRIPK1SMN1; SMN2CNR1
SCHEMBL18135513 0.71 RIPK1 (0.55) ALOX5KDM4EATMRIPK1MEN1
SCHEMBL14200043 0.70 — —
SCHEMBL408815 0.70 CNR1 (0.49) HSD11B1RIPK1CNR1CNR2
SCHEMBL13992420 0.70 — —
SCHEMBL14519738 0.70 LMNA (0.49) HSD11B1RIPK1CNR1CNR2
SCHEMBL12062179 0.69 MTOR (0.56) ALOX5KDM4EATMMTORRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318667-A1 Peptoid compositions and methods of using the same NEW YORK UNIVERSITY 2009-12-24 — — US disclosed
WO-2009139922-A2 PEPTOID COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY SCHOOL OF MEDICINE (US) 2009-11-19 — — WO disclosed
US-7462592-B2 Compositions and methods for polynucleotide delivery NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-09 — — US disclosed
US-20080089938-A9 Compositions and methods for polynucleotide delivery ZUCKERMANN RONALD N 2008-04-17 — — US 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-20080089938-A9 Compositions and methods for polynucleotide delivery POLN, RNASE1, NCL ALOX5 4705/4885KDM4E 4360/4885ATM 3952/4885
US-20090318667-A1 Peptoid compositions and methods of using the same PEPD, NGLY1, ANPEP ALOX5 2024/4885KDM4E 4041/4885ATM 4210/4885

“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.

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