SCHEMBL2535620

SCHEMBL2535620

COC(=O)C(CO)NC(=O)c1cocn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
CNR2 P34972 4/20 0.38
CNR1 P21554 2/20 0.38
TAS1R3 Q7RTX0 5/20 0.37
TAS1R1 Q7RTX1 5/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CTSS P25774 1/20 0.36
MEN1 O00255 1/20 0.36
MME P08473 1/20 0.36
GRM5 P41594 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ULK1 O75385 1/20 0.35

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
SCHEMBL18896242 0.78 ACACB (0.53) ACACBCNR1NPC1RAB9ACTSS
SCHEMBL31307617 0.74 CACNA1B (0.45) CNR2CNR1TAS1R3TAS1R1KMT2A
SCHEMBL12984285 0.74 SMN1; SMN2 (0.49) ACACBKMT2ANPC1RAB9A
SCHEMBL24567580 0.72 ACACB (0.48) ACACBTAS1R3TAS1R1CTSSMME
SCHEMBL17749364 0.72 ACACB (0.44) ACACBCTSSMMEGRM5
SCHEMBL30807263 0.70 HDAC1 (0.41) CNR2CNR1TAS1R3TAS1R1ULK1
SCHEMBL30759691 0.70 USP30 (0.42) CNR2CNR1KMT2ANPC1RAB9A
SCHEMBL21334734 0.70 PDCD1 (0.47) CNR2TAS1R3TAS1R1KMT2AAPOBEC3G
SCHEMBL31307601 0.70 CACNA1B (0.42) CNR2CNR1TAS1R3TAS1R1KMT2A
SCHEMBL303735 0.69

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
US-8729060-B2 Macrocyclic polyoxazole compounds and use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-20 US disclosed
US-8729060-B2 Macrocyclic polyoxazole compounds and use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-20 US disclosed
US-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 US disclosed
US-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 US disclosed
EP-2183256-A1 THERAPEUTIC COMPOUNDS Rutgers, The State University of New Jersey (US) 2010-05-12 EP disclosed
WO-2009018549-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-02-05 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 (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-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL ACACB 2012/4885CNR2 3972/4885CNR1 2747/4885

“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.