SCHEMBL2179248

SCHEMBL2179248

CC1(C)OB(c2cnc(NC(C(=O)O)C(=O)O)nc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.41
PDGFRB P09619 3/20 0.40
KDR P35968 3/20 0.40
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK2 O75116 1/20 0.38
FFAR1 O14842 1/20 0.37
LIPG Q9Y5X9 2/20 0.35
LPL P06858 1/20 0.35
P4HB P07237 1/20 0.35
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL1842641 0.80 LIPG (0.40) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL17799957 0.80 PDGFRB (0.44) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL16076006 0.80 FFAR1 (0.38) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL20896372 0.77 DGAT1 (0.43) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL31217408 0.77 DGAT1 (0.42) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL1841804 0.77 DGAT1 (0.43) DGAT1PDGFRBKDRGSK3AGSK3B
Carbamic Acid SCHEMBL17997310 0.77 PDGFRB (0.45) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL21464700 0.76 DGAT1 (0.42) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL336629 0.74 FFAR1 (0.41) DGAT1PDGFRBKDRGSK3AGSK3B
SCHEMBL18991898 0.73 DGAT1 (0.41) DGAT1PDGFRBKDRGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI DGAT1 3143/4885PDGFRB 2040/4885KDR 4816/4885

“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.