SCHEMBL146640

SCHEMBL146640

CCC1(OC(=O)c2c[nH]c3c(OS(=O)(=O)C(F)(F)F)c(F)c(F)cc3c2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.33
CLEC4M Q9H2X3 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1345017 0.69 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL20258340 0.68 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL7002652 0.67 KDM4E (0.37) CYP1A2CYP3A4CYP2C19KDM4ECLEC4M
SCHEMBL9635290 0.67 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL29376920 0.67 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL6584701 0.65 HTR3E (0.43) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL10859780 0.65 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL10922345 0.65 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL1440873 0.64 HPGD (0.42) KDM4EMAPTALDH1A1
SCHEMBL9535556 0.64 ALDH1A1 (0.48) CYP1A2KDM4EALDH1A1LMNA

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 CYP1A2 272/4885CYP3A4 88/4885CYP2C19 208/4885

“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.