SCHEMBL9937657

SCHEMBL9937657

C=C[C@H](N)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.49
PGD P52209 3/20 0.47
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR2 O95136 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSPO P30536 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL165934 0.84 MPI (0.59) MPIPGDPGK1PGK2S1PR4
SCHEMBL20718807 0.84 MPI (0.59) MPIPGDPGK1PGK2S1PR4
SCHEMBL158926 0.84 MPI (0.59) MPIPGDPGK1PGK2S1PR4
SCHEMBL19393 0.84 MPI (0.59) MPIPGDPGK1PGK2S1PR4
SCHEMBL2849450 0.84 MPI (0.59) MPIPGDPGK1PGK2S1PR4
SCHEMBL1300480 0.82 MPI (0.56) MPIPGDPGK1PGK2S1PR4
SCHEMBL16416132 0.81 PGD (0.61) MPIPGDPGK1PGK2
SCHEMBL5000804 0.81 PGD (0.61) MPIPGDPGK1PGK2
SCHEMBL2859324 0.76 MPI (0.49) MPIPGDPGK1PGK2LPAR2
SCHEMBL2853495 0.76 PGD (0.55) MPIPGDPGK1PGK2

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-8846645-B2 Cyclohexane compounds and their use as antibiotics RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2014-09-30 US disclosed
US-20140066409-A1 CYCLOHEXANE COMPOUNDS AND THEIR USE AS ANTIBIOTICS Universität Konstanz (DE) 2014-03-06 US disclosed
EP-2651878-A1 CYCLOHEXANE COMPOUNDS AND THEIR USE AS ANTIBIOTICS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2013-10-23 EP disclosed
EP-2489654-A1 Cyclohexane compounds and their use as antibiotics Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2012-08-22 EP disclosed
WO-2012080240-A1 CYCLOHEXANE COMPOUNDS AND THEIR USE AS ANTIBIOTICS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2012-06-21 WO 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-20140066409-A1 CYCLOHEXANE COMPOUNDS AND THEIR USE AS ANTIBIOTICS NISCH, DCXR, CFTR MPI 849/4885PGD 89/4885PGK1 547/4885

“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.