SCHEMBL16197972

SCHEMBL16197972

CC(=O)NN(CC(C)OC(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.34
ALOX15 P16050 1/20 0.33
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL16197969 1.00 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16197866 0.77 ALDH1A1 (0.31)
SCHEMBL16197864 0.77 ALDH1A1 (0.31)
SCHEMBL22807644 0.72 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16198024 0.72 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16198021 0.72 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7710942 0.70 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10726271 0.69 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28770239 0.66 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
Acetone SCHEMBL28887361 0.65 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102064-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-04-14 US claimed
EP-2989097-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2016-03-02 EP claimed
WO-2014174522-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-10-30 WO claimed
US-9586913-B2 Processes for the preparation of linezolid using novel intermediates SYMED LABS LIMITED (IN) 2017-03-07 US disclosed
US-20160102064-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-04-14 US disclosed
EP-2989097-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2016-03-02 EP disclosed
WO-2014174522-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-10-30 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-20160102064-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES CYP3A5, SBDS, MLYCD TSHR 4448/4885CHRM2 4856/4885CHRM4 4860/4885

“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.