SCHEMBL10196142

SCHEMBL10196142

CC[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.44
GRM2 Q14416 2/20 0.43
MAOB P27338 7/20 0.42
MAOA P21397 4/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SDHA P31040 1/20 0.42
F10 P00742 1/20 0.41

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
SCHEMBL13484703 0.91 F10 (0.46) CALML3GRM2MAOBMAOALMNA
SCHEMBL14838111 0.90 CALML3 (0.56) CALML3MAOBMAOALMNAPTGS1
SCHEMBL411137 0.90 CALML3 (0.56) CALML3MAOBMAOALMNAPTGS1
SCHEMBL24142630 0.88 CALML3 (0.42) CALML3GRM2MAOBMAOALMNA
SCHEMBL15458115 0.88 CALML3 (0.42) CALML3GRM2MAOBMAOALMNA
SCHEMBL17801942 0.86 MAOA (0.45) CALML3MAOBMAOALMNAPTGS1
SCHEMBL17801943 0.85 MAOA (0.45) CALML3GRM2MAOBMAOALMNA
SCHEMBL1031592 0.85 MAOA (0.62) CALML3MAOBMAOALMNAPTGS1
SCHEMBL1031591 0.85 MAOA (0.62) CALML3MAOBMAOALMNAPTGS1
SCHEMBL3194729 0.83 CALML3 (0.41) CALML3GRM2MAOBMAOALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126415-A1 OXAZOLIDINONE COMPOUNDS, LIPOSOME COMPOSITIONS COMPRISING OXAZOLIDINONE COMPOUNDS AND METHOD OF USE THEREOF AKAGERA MEDICINES, INC. (US) 2023-04-27 US disclosed
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 US disclosed
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 US disclosed
US-8895741-B2 Process for the synthesis of biaryl oxazolidinones MELINTA THERAPEUTICS, INC. (US) 2014-11-25 US disclosed
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20130066076-A1 Process for the Synthesis of Biaryl Oxazolidinones MELINTA SUBSIDIARY CORP. 2013-03-14 US disclosed
US-8324398-B2 Process for the synthesis of biaryl oxazolidinones RIB-X PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same RIB-X PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES RIB-X PHARMACEUTICALS, INC. (US) 2010-01-28 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 (7 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-20130066076-A1 Process for the Synthesis of Biaryl Oxazolidinones PCNA, PGC, SBDS CALML3 4667/4885GRM2 3664/4885MAOB 1133/4885
US-20230126415-A1 OXAZOLIDINONE COMPOUNDS, LIPOSOME COMPOSITIONS COMPRISING OXAZOLIDINONE COMPOUNDS AND METHOD OF USE THEREOF OXA1L, THPO, TBCD CALML3 2409/4885GRM2 4371/4885MAOB 1216/4885
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF CALML3 3842/4885GRM2 3878/4885MAOB 994/4885
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES PCNA, PGC, MKI67 CALML3 4706/4885GRM2 3325/4885MAOB 743/4885
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same PCNA, AADAC, MIF CALML3 3842/4885GRM2 3878/4885MAOB 994/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF CALML3 3842/4885GRM2 3878/4885MAOB 994/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 CALML3 4426/4885GRM2 4688/4885MAOB 1344/4885

“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.