SCHEMBL10013148

SCHEMBL10013148

C[C@@H]1C(OP(=O)(Oc2ccccc2)Oc2ccccc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.42
ELANE P08246 7/20 0.41
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1198655 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL337697 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL14153496 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL407970 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL8695596 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL8924773 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL13483984 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL437737 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL18977837 0.94 PLCG1 (0.40) PLCG1ELANERAB9AHTT
SCHEMBL10013149 0.94 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093378-B2 Crystallization method for intermediates of carbapenem antibiotics KANEKA CORPORATION (JP) 2012-01-10 US disclosed
US-8093378-B2 Crystallization method for intermediates of carbapenem antibiotics KANEKA CORPORATION (JP) 2012-01-10 US disclosed
US-20090118496-A1 Crystallization Method for Intermediates of Carbapenem Antibiotics KANEKA CORPORATION (JP) 2009-05-07 US disclosed
US-20090118496-A1 Crystallization Method for Intermediates of Carbapenem Antibiotics KANEKA CORPORATION (JP) 2009-05-07 US disclosed
EP-2014666-A1 IMPROVED METHOD FOR THE CRYSTALLIZATION OF INTERMEDIATES OF CARBAPENEM ANTIBIOTICS Kaneka Corporation (JP) 2009-01-14 EP 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-20090118496-A1 Crystallization Method for Intermediates of Carbapenem Antibiotics OTUB1, PYCARD, OTUD7B PLCG1 3317/4885ELANE 3442/4885RAB9A 3963/4885

“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.