SCHEMBL7027469

SCHEMBL7027469

FC(F)(F)COC(=S)c1c2ccccc2nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
RAB9A P51151 2/20 0.38
BACE1 P56817 1/20 0.37
PKM P14618 1/20 0.36
KDM4E B2RXH2 5/20 0.36
GLA P06280 4/20 0.36
POLB P06746 3/20 0.36
ADORA2A P29274 2/20 0.36
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
FABP7 O15540 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL7757071 0.75 ESR1 (0.41) RAB9AALDH1A1MAPTGAAKMT2A
SCHEMBL7756511 0.71 KDM4E (0.48) RAB9AKDM4EGLAPOLBALDH1A1
SCHEMBL5705498 0.69 KDM4E (0.50) RAB9AKDM4EGLAPOLBALDH1A1
SCHEMBL7030411 0.69 SCN9A (0.43) PKMKDM4EGLAADORA2AALDH1A1
SCHEMBL7915229 0.68 TLR7 (0.34) RAB9ABACE1KDM4EGLAPOLB
SCHEMBL6896388 0.66 KDM4E (0.52) RAB9AKDM4EGLAPOLBALDH1A1
Naphthalene SCHEMBL27472463 0.66 KDM4E (0.46) RAB9AKDM4EGLAPOLBALDH1A1
SCHEMBL8740694 0.66 MAPT (0.41) RAB9AKDM4EGLAPOLBALDH1A1
SCHEMBL8333201 0.66 POLB (0.52) RAB9AKDM4EPOLBADORA2AALDH1A1
SCHEMBL7024083 0.66 POLB (0.43) BACE1KDM4EGLAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635437-B2 Useful in methods for producing light and in assays for phosphatase enzymes and enzyme inhibitors and in assays employing enzyme-labeled specific binding pairs LUMIGEN, INC. 2003-10-21 US disclosed
EP-0819119-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN INC (US) 2003-04-02 EP disclosed
US-20030023089-A1 Compounds, compositions and methods for generating chemiluminescence with phosphatase enzymes AKHAVAN-TAFTI HASHEM (US) 2003-01-30 US disclosed
US-6296787-B1 ACRIDINE AND PHENANTHRIDINE ALKENYL PHOSPHATE DERIVATIVES LUMIGEN, INC. 2001-10-02 US disclosed
US-6270695-B1 HETEROCYCLIC COMPOUNDS WITH EXOCYCLIC DOUBLE BOND HAVING PHOSPHATE GROUP ATTACHED TO DISTAL CARBON; DETECTION SENSITIVITY LUMIGEN, INC. 2001-08-07 US disclosed
US-6218137-B1 SENSITIVE QUANTITATIVE ANALYSIS USING COMPOUND HAVING A HETEROCYCLIC RING SYSTEM BEARING AN EXOCYCLIC CARBON-CARBON DOUBLE BOND WHICH IS SUBSTITUTED AT DISTAL CARBON WITH PHOSPHATE GROUP AND OXYGEN OR SULFUR GROUP LUMIGEN, INC. 2001-04-17 US disclosed
US-6139782-A A CHEMILUMINESCENT CONTAINING A HETEROCYCLIC RING GROUP AND AN ENOL PHOSPHATE GROUP WHICH REACT WITH OXYGEN UPON REMOVAL OF PHOSPHATE GROUP WITH A PHOSPHATASE ENZYME TO PRODUCE AN ENOLATE WHICH REACTS WITH TO PRODUCE CHEMILUMINOESCENCE LUMIGEN, INC. (US) 2000-10-31 US disclosed
US-6090571-A REACTING PHOSPHATASE WITH NITROGEN-CONTAINING HETEROCYCLIC RING SYSTEM HAVING AN ENOL PHOSPHATE GROUP, DETECTING THE CHEMILUMINESCENCE, AND RELATING TO AMOUNT OF ANALYTE LUMIGEN, INC. (US) 2000-07-18 US disclosed
US-6045727-A NITROGEN CONTAINING HETEROCYCLIC RING SYSTEM BEARING AN EXOCYCLIC CARBON-CARBON DOUBLE BOND. THE DOUBLE BOND IS FURTHER SUBSTITUTED AT THE DISTAL CARBON WITH A PHOSPHATE GROUP AND AN OXYGEN OR SULFUR ATOM-CONTAINING GROUP. LUMIGEN, INC. (US) 2000-04-04 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-20030023089-A1 Compounds, compositions and methods for generating chemiluminescence with phosphatase enzymes PPP6C, PPP4C, PPP2CA ELANE 250/4885F2 2020/4885PLAU 2932/4885

“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.