SCHEMBL679071

SCHEMBL679071

O=C(O)C1=C(Cc2ccc([N+](=O)[O-])cc2)S[C@@H]2[C@@H](Br)C(=O)N12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PLCG1 P19174 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
LTA4H P09960 1/20 0.34
PLA2G2A P14555 1/20 0.34
GAA P10253 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5907437 1.00 ELANE (0.41) ELANEL3MBTL1PLCG1MEN1KMT2A
SCHEMBL8889147 0.81 ELANE (0.46) ELANEL3MBTL1MEN1KMT2APOLB
SCHEMBL11006880 0.69 PLCG1 (0.41) ELANEPLCG1TDP1ALDH1A1RAB9A
SCHEMBL9782704 0.69 ELANE (0.53) ELANEPOLBTDP1SMN1; SMN2CYP1A2
SCHEMBL2925664 0.67 RAB9A (0.44) L3MBTL1PLCG1POLBTDP1ALDH1A1
SCHEMBL5907435 0.67 RAB9A (0.44) L3MBTL1PLCG1POLBTDP1ALDH1A1
SCHEMBL679070 0.67 RAB9A (0.44) L3MBTL1PLCG1POLBTDP1ALDH1A1
SCHEMBL4967038 0.67 RAB9A (0.44) L3MBTL1PLCG1POLBTDP1ALDH1A1
SCHEMBL11116047 0.66 TDP1 (0.40) POLBTDP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9782546 0.66 ELANE (0.67) ELANEMEN1KMT2APOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS B2M, MRPL21, RCE1 ELANE 169/4885L3MBTL1 612/4885PLCG1 4264/4885

“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.