SCHEMBL21046144

SCHEMBL21046144

COC(=O)CSC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
PLCG1 P19174 1/20 0.40
HTT P42858 3/20 0.38
HTR2A P28223 1/20 0.38
FAP Q12884 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 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
SCHEMBL21046142 1.00 ELANE (0.41) ELANEPLCG1HTTHTR2AFAP
SCHEMBL21046139 1.00 ELANE (0.41) ELANEPLCG1HTTHTR2AFAP
SCHEMBL21046140 1.00 ELANE (0.41) ELANEPLCG1HTTHTR2AFAP
SCHEMBL10757693 0.88 ELANE (0.42) ELANEPLCG1HTTHTR2AFAP
SCHEMBL10757697 0.88 ELANE (0.42) ELANEPLCG1HTTHTR2AFAP
SCHEMBL10757699 0.88 ELANE (0.42) ELANEPLCG1HTTHTR2AFAP
SCHEMBL10759791 0.87 ELANE (0.42) ELANEPLCG1HTTHTR2AFAP
SCHEMBL10759800 0.87 ELANE (0.42) ELANEPLCG1HTTHTR2AFAP
SCHEMBL10759797 0.87 ELANE (0.42) ELANEPLCG1HTTHTR2AFAP
SCHEMBL10760791 0.85 ELANE (0.39) ELANEPLCG1HTTHTR2AFAP

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-10695322-B2 Inhibitors of bacterial growth THE JOHNS HOPKINS UNIVERSITY (US) 2020-06-30 US disclosed
US-20190167637-A1 NOVEL INHIBITORS OF BACTERIAL GROWTH RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2019-06-06 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-20190167637-A1 NOVEL INHIBITORS OF BACTERIAL GROWTH DPEP1, PEPD, ANPEP ELANE 164/4885PLCG1 2397/4885HTT 4646/4885
US-10695322-B2 Inhibitors of bacterial growth DPEP1, PEPD, ANPEP ELANE 180/4885PLCG1 2496/4885HTT 4667/4885

“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.