SCHEMBL6297073

SCHEMBL6297073

COc1ccc([N+]#N)c(OC)c1.F[B-](F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 3/20 0.46
CYP1A1 P04798 8/20 0.43
CYP1A2 P05177 8/20 0.43
CYP1B1 Q16678 8/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP4B1 P13584 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP3A5 P20815 1/20 0.43
CYP2A7 P20853 1/20 0.43

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
SCHEMBL10564377 1.00 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL8497623 0.93 CA1 (0.56) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL8498491 0.91 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL11316968 0.87 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL10350437 0.86 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11409076 0.86 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL3136387 0.82 HTT (0.37) CA12CA1CA2CA7CA9
SCHEMBL6588098 0.81 KDM4E (0.36) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL11061442 0.80 KCNH2 (0.40) CA12CA1CA2CA7CA9
SCHEMBL1856965 0.79 ERN1 (0.48) CA1CA2CA7CA9CYP1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6955921-B2 Trypsin substrate and diagnostic device, and method of using same BAYER CORPORATION (US) 2005-10-18 US disclosed
US-6770764-B2 DIAGNOSIS OF BACTERIA INFECTIONS BAYER CORPORATION 2004-08-03 US disclosed
US-20030125577-A1 Trypsin substrate and diagnostic device, and method of using same SIEMENS HEALTHCARE DIAGNOSTICS INC. 2003-07-03 US disclosed
EP-0877237-B1 Foil for UV dosimeter SYNTEC GES FUER CHEMIE UND TEC (DE) 2002-12-04 EP disclosed
US-20020004219-A1 Trypsin substrate and diganostic device, and method of using same SIEMENS HEALTHCARE DIAGNOSTICS INC. 2002-01-10 US disclosed
EP-1157984-A2 Trypsin substrate and diagnostic device, and method of using same Bayer Corporation (US) 2001-11-28 EP disclosed
EP-0877237-A2 Foil for UV dosimeter Syntec Gesellschaft für Chemie und Technologie der Informationsaufzeichnung mbH (DE) 1998-11-11 EP disclosed
US-5736408-A COLORIMETRIC PHOTOMETRIC QUANTITATIVE ANALYSIS CHIMERA RESEARCH AND CHEMICAL INC. 1998-04-07 US disclosed
EP-0158225-B1 ANALYSIS METHOD AND MEANS FOR DETECTING ESTEROLYTIC AND/OR PROTEOLYTIC ENZYMES MILES INC. (US) 1992-03-11 EP disclosed
EP-0157360-B1 CHROMOGENIC ESTERS OF AMINO ACIDS AND PEPTIDES, PROCESSES FOR THEIR PREPARATION, USE OF THESE AGENTS IN METHODS OF ANALYSIS AND AGENTS FOR DETECTION OF ESTEROLYTIC AND/OR PROTEOLYTIC ENZYMES MILES INC. (US) 1991-08-14 EP disclosed
EP-0039880-B2 AGENTS FOR THE DETECTION OF ESTEROLYTIC AND/OR PROTEOLYTIC ENZYMES; AND PHENOXY-AMINO ACIDS AND PHENOXY-PEPTIDE ESTERS SUITABLE AS SUBSTRATES THEREFOR, PROCESS FOR THEIR PRODUCTION AND THEIR USE IN PRODUCING THE AGENTS Roche Diagnostics GmbH (DE) 1987-06-03 EP disclosed
US-4551428-A COLORIMETRIC ANALYSIS USING DIAZONIUM COUPLERS BOEHRINGER MANNHEIM GMBH (DE) 1985-11-05 US disclosed
EP-0158225-A2 Analysis method and means for detecting esterolytic and/or proteolytic enzymes MILES INC. (US) 1985-10-16 EP disclosed
EP-0157361-A2 Analysis method and means for detecting esterolytic and or proteolytic enzymes MILES INC. (US) 1985-10-09 EP disclosed
EP-0157360-A2 Chromogenic esters of amino acids and peptides, processes for their preparation, use of these agents in methods of analysis and agents for detection of esterolytic and/or proteolytic enzymes MILES INC. (US) 1985-10-09 EP disclosed
EP-0120396-A2 Test strip for the detection of leucocytes in urine MACHEREY-NAGEL & Co, Chemikalienhandel (DE) 1984-10-03 EP disclosed
EP-0039880-B1 AGENTS FOR THE DETECTION OF ESTEROLYTIC AND/OR PROTEOLYTIC ENZYMES; AND PHENOXY-AMINO ACIDS AND PHENOXY-PEPTIDE ESTERS SUITABLE AS SUBSTRATES THEREFOR, PROCESS FOR THEIR PRODUCTION AND THEIR USE IN PRODUCING THE AGENTS Roche Diagnostics GmbH (DE) 1983-06-29 EP disclosed
EP-0039880-A1 Agents for the detection of esterolytic and/or proteolytic enzymes; and phenoxy-amino acids and phenoxy-peptide esters suitable as substrates therefor, process for their production and their use in producing the agents Roche Diagnostics GmbH (DE) 1981-11-18 EP disclosed
US-4289839-A BLOCKED COUPLER LIBERATED BY PHOTOCHEMICALLY FORMED ACID JAMES RIVER GRAPHICS, INC. (US) 1981-09-15 US disclosed
US-4252884-A DIAZONIUM SALT, BLOCKED PHENOLIC COUPLER JAMES RIVER GRAPHICS, INC. (US) 1981-02-24 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 (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-20020004219-A1 Trypsin substrate and diganostic device, and method of using same PRSS3, CTRL, PRSS2 CA12 763/4885CA1 239/4885CA2 1267/4885
US-20030125577-A1 Trypsin substrate and diagnostic device, and method of using same CTRL, PRSS3, SPINT2 CA12 1014/4885CA1 444/4885CA2 1660/4885

“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.