SCHEMBL20528013

SCHEMBL20528013

CSc1ccc(-c2ccc(N3CC(CO)OC3=O)cc2F)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.74
MAOA P21397 8/20 0.61
MAOB P27338 3/20 0.61
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 1/20 0.58
CYP2D6 P10635 1/20 0.51

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
SCHEMBL29432578 1.00 CALML3 (0.74) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL18770294 1.00 CALML3 (0.74) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL18770257 0.90 CALML3 (0.60) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL18770254 0.90 CALML3 (0.60) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL22245214 0.90 CALML3 (0.73) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL29432583 0.90 CALML3 (0.73) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL23060435 0.89 CALML3 (0.59) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL21259487 0.89 CALML3 (0.58) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL18790170 0.89 CALML3 (0.58) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL20528026 0.87 MAOA (0.57) CALML3MAOAMAOBCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947205-B2 Oxazolidinone compounds and methods of use thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2021-03-16 US disclosed
US-20210061777-A1 OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2021-03-04 US disclosed
US-20190248753-A1 OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2019-08-15 US disclosed
US-20180290987-A1 OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. 2018-10-11 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 (4 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-10947205-B2 Oxazolidinone compounds and methods of use thereof as antibacterial agents OXA1L, ERAL1, TBCD CALML3 3904/4885MAOA 1773/4885MAOB 951/4885
US-20190248753-A1 OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS OXA1L, ERAL1, TBCD CALML3 3904/4885MAOA 1773/4885MAOB 951/4885
US-20180290987-A1 OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS OXA1L, ERAL1, TBCD CALML3 3904/4885MAOA 1773/4885MAOB 951/4885
US-20210061777-A1 OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS OXA1L, ERAL1, TBCD CALML3 3904/4885MAOA 1773/4885MAOB 951/4885

“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.