SCHEMBL411610

SCHEMBL411610

O=C1O[C@@H](COP(=O)(O)O)CN1c1ccc(-c2ccc(N3CCC(F)(F)C3=O)nc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.37
GRM5 P41594 3/20 0.37
F10 P00742 2/20 0.36
CALML3 P27482 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SIGMAR1 Q99720 2/20 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
SCHEMBL411062 0.90 CALML3 (0.49) CALML3CYP2C9CYP2C19
SCHEMBL412190 0.89 CYP2C19 (0.39) CALML3CYP2C9CYP2C19
SCHEMBL412725 0.87 CALML3 (0.46) F10CALML3CYP2C9CYP2C19SIGMAR1
SCHEMBL411600 0.84 F10 (0.44) GRM2GRM5F10
SCHEMBL411602 0.83 F10 (0.38) GRM2GRM5F10CALML3CYP2C9
SCHEMBL412061 0.83 F10 (0.45) GRM2GRM5F10
SCHEMBL411159 0.83 TDO2 (0.39) GRM2GRM5F10CALML3CYP2C9
SCHEMBL412641 0.82 GRM5 (0.42) GRM2GRM5CALML3
SCHEMBL412158 0.77 CALML3 (0.62) CALML3CYP2C9CYP2C19
SCHEMBL412628 0.76 CYP2C19 (0.49) CALML3CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
WO-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 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-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections NISCH, SI, VIP GRM2 4861/4885GRM5 4129/4885F10 3187/4885

“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.