SCHEMBL13245409

SCHEMBL13245409

CC(C)(C)OC(=O)N(Cc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 2/20 0.43
HSD11B1 P28845 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
GCGR P47871 3/20 0.40
ACACB O00763 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
KDM1A O60341 2/20 0.39

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
SCHEMBL13244819 0.95 NSD2 (0.42) NSD2RARBRARGHDAC8HDAC6
SCHEMBL24619470 0.93 HDAC8 (0.48) NSD2HDAC8HDAC6HDAC3HSD11B1
SCHEMBL13267029 0.89 GPR119 (0.50) HDAC8HDAC6HDAC3HSD11B1PTGES
SCHEMBL3011917 0.88 KDM1A (0.45) NSD2RARBRARGHDAC8HDAC6
SCHEMBL3011918 0.88 KDM1A (0.45) NSD2RARBRARGHDAC8HDAC6
SCHEMBL2643442 0.87 GCGR (0.48) HDAC8HDAC6HDAC3HSD11B1GCGR
SCHEMBL2643438 0.87 GCGR (0.48) HDAC8HDAC6HDAC3HSD11B1GCGR
SCHEMBL3117999 0.87 AGER (0.48) HDAC8HDAC6HDAC3HSD11B1PTGES
SCHEMBL28137807 0.86 HSD11B1 (0.47) NSD2HDAC8HDAC6HDAC3HSD11B1
SCHEMBL18172790 0.86 HDAC8 (0.43) HDAC8HDAC6HDAC3HSD11B1GPR119

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-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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 (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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 NSD2 4593/4885RARB 1644/4885RARG 2102/4885

“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.