SCHEMBL17861141

SCHEMBL17861141

Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(CF)cc3[N+](=O)[O-])ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.63
ALPI P09923 5/20 0.63
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.52
GAA P10253 3/20 0.52
CA2 P00918 2/20 0.51
STS P08842 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
MAOB P27338 4/20 0.48
POLB P06746 2/20 0.48
MAOA P21397 3/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA4 P22748 1/20 0.48

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
SCHEMBL31120327 0.86 ALPL (0.81) ALPLALPIKDM4EALDH1A1GAA
SCHEMBL17856881 0.85 ALPL (0.63) ALPLALPIKDM4EALDH1A1GAA
SCHEMBL137689 0.81 ALPL (0.67) ALPLALPIKDM4EALDH1A1GAA
SCHEMBL137684 0.76 ALPL (0.78) ALPLALPIKDM4EALDH1A1GAA
SCHEMBL38662608 0.71 ALDH1A1 (0.76) ALPLALPIKDM4EALDH1A1GAA
SCHEMBL13930283 0.71 MAOB (0.71) ALPLALPIKDM4EALDH1A1GAA
Potassium Ion SCHEMBL380405 0.70 KDM4E (0.74) ALPLALPIKDM4EALDH1A1GAA
SCHEMBL3761324 0.70 KDM4E (0.74) ALPLALPIKDM4EALDH1A1GAA
SCHEMBL10850744 0.70 ALPL (0.84) ALPLALPISTSMAOBMAOA
SCHEMBL10849183 0.70 ALPL (0.71) ALPLALPIKDM4EALDH1A1GAA

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-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 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-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD ALPL 308/4885ALPI 1645/4885KDM4E 4293/4885

“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.