SCHEMBL4104306

SCHEMBL4104306

NCC(CC1CCCCC1)P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.49
ACP3 P15309 2/20 0.40
ANPEP P15144 2/20 0.40
ERAP2 Q6P179 2/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
FDPS P14324 1/20 0.37

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
SCHEMBL18230965 0.77 FDPS (0.55) METAP1ACP3ANPEPERAP2CA12
SCHEMBL1243144 0.74 MMP1 (0.34) METAP1MMP1MMP2
SCHEMBL7431441 0.72 METAP1 (0.51) METAP1ACP3ANPEPERAP2
SCHEMBL7435009 0.72 METAP1 (0.51) METAP1ACP3ANPEPERAP2
SCHEMBL26076509 0.71 CPN1 (0.44)
SCHEMBL13327340 0.70 FDPS (0.52) METAP1ACP3ANPEPERAP2CA12
SCHEMBL9170443 0.69 METAP1 (0.44) METAP1ACP3ANPEPERAP2CA12
SCHEMBL7784263 0.69 TP53 (0.48)
SCHEMBL12050314 0.69 TP53 (0.43)
SCHEMBL25852161 0.69 TP53 (0.48)

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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 EP 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 (2 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS METAP1 3974/4885ACP3 2000/4885ANPEP 2788/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS METAP1 3974/4885ACP3 2000/4885ANPEP 2788/4885

“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.