SCHEMBL2770342

SCHEMBL2770342

CC(C)(C)OC(=O)N(Cc1cccnc1)Cc1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
KMO O15229 1/20 0.44
RIPK1 Q13546 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GRM2 Q14416 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
KMT2A Q03164 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
GPR132 Q9UNW8 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL27875045 0.82 KMT2A (0.48) PKMHDAC3HDAC1HDAC2NCOR2
SCHEMBL7324763 0.80 SSTR4 (0.52) PKMHDAC3HDAC1HDAC2NCOR2
SCHEMBL1853385 0.80 MRGPRX4 (0.54) HDAC3HDAC1HDAC2NCOR2MRGPRX4
SCHEMBL4261389 0.79 KMT2A (0.45) HDAC3HDAC1HDAC2NCOR2RIPK1
SCHEMBL4830438 0.78 MEN1 (0.49) PKMMRGPRX4KMT2A
SCHEMBL6066375 0.77 MRGPRX4 (0.56) HDAC3HDAC1HDAC2NCOR2MRGPRX4
SCHEMBL5890773 0.76 RIPK1 (0.63) PKMRIPK1ALDH1A1TRPM8LMNA
SCHEMBL7332333 0.75 RIPK1 (0.51) RIPK1ALDH1A1GRM2KMT2AGAA
SCHEMBL14004878 0.75 HDAC3 (0.66) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL23746079 0.75 MEP1B (0.46) MRGPRX4KMT2ATRPM8

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
WO-2010130708-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-11-18 WO disclosed
US-20100292185-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD (BM) 2010-11-18 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-20100292185-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB PKM 3225/4885HDAC3 4035/4885HDAC1 3077/4885

“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.