SCHEMBL13054827

SCHEMBL13054827

Nc1ccc(N2C[C@H](CO)OC2=O)cc1F

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALML3 P27482 7/20 0.67
▸ F10 P00742 1/20 0.59
▸ MAOA P21397 6/20 0.59
▸ MAOB P27338 5/20 0.59
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ SDHA P31040 1/20 0.47

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
SCHEMBL3755717 1.00 CALML3 (0.67) CALML3F10MAOAMAOBCYP2C19
SCHEMBL3323276 0.88 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3323285 0.88 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3323279 0.88 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL12157633 0.88 F10 (0.57) CALML3F10MAOAMAOBLMNA
SCHEMBL542031 0.86 CALML3 (0.67) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL542030 0.86 CALML3 (0.67) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL10062439 0.86 CALML3 (0.67) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL1222787 0.86 CALML3 (0.67) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL1222791 0.86 CALML3 (0.67) CALML3MAOAMAOBCYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — US disclosed
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-11-25 — — US disclosed
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-11-25 — — US disclosed
WO-2010036000-A2 NOVEL OXAZOLIDINONE DERIVATIVES WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-04-01 — — WO disclosed
WO-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 — — WO disclosed
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 — — US disclosed
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 — — US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 — — 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 (3 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-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC CALML3 3775/4885F10 3982/4885MAOA 999/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 CALML3 4273/4885F10 1083/4885MAOA 2199/4885
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS OXA1L, MIF, VIP CALML3 4408/4885F10 4714/4885MAOA 3034/4885

“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.

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