SCHEMBL13089916

SCHEMBL13089916

NCC(=O)OCc1csc(-c2ccc(-c3ccc(N4C[C@H](Cn5ccnc5)OC4=O)cc3F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 1/20 0.51
CALML3 P27482 6/20 0.49
MAOA P21397 9/20 0.46
CYP2D6 P10635 1/20 0.44

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
SCHEMBL13760401 0.88 MAOA (0.62) CYP3A4CYP2C9MAOACYP2D6
Trifluoroacetic Acid SCHEMBL1381749 0.84 MAOA (0.58) CYP3A4CYP2C9MAOACYP2D6
SCHEMBL13089907 0.84 MAOA (0.56) CALML3MAOA
Trifluoroacetic Acid SCHEMBL1383835 0.80 MAOA (0.52) CALML3MAOA
SCHEMBL12606546 0.80 CALML3 (0.49) CYP3A4CYP2C9CALML3MAOA
SCHEMBL13760400 0.77 MAOA (0.52) CYP3A4CALML3MAOA
Trifluoroacetic Acid SCHEMBL1382546 0.76 CALML3 (0.46) CYP3A4CYP2C9CALML3MAOA
SCHEMBL18786451 0.76 CALML3 (0.57) CYP3A4CYP2C9CALML3MAOACYP2D6
SCHEMBL20528027 0.76 CALML3 (0.57) CYP3A4CYP2C9CALML3MAOACYP2D6
SCHEMBL18786544 0.76 CALML3 (0.57) CYP3A4CYP2C9CALML3MAOACYP2D6

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-7816379-B2 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. (KR) 2010-10-19 US disclosed
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. 2007-07-05 US disclosed
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. 2007-07-05 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 (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-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate ALPI, SI, TST CYP3A4 68/4885CYP2C9 411/4885CALML3 1992/4885

“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.