SCHEMBL935523

SCHEMBL935523

COc1cc2sc(C#N)nc2cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
AKR1B1 P15121 1/20 0.40
LRRK2 Q5S007 3/20 0.38
AR P10275 7/20 0.36
PGR P06401 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
EGFR P00533 2/20 0.35
ERBB2 P04626 1/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL10401282 0.84 STING1 (0.44) ALOX15ATM
SCHEMBL12312875 0.81 ILK (0.47) ALOX15ATM
SCHEMBL10584493 0.80 ALOX15 (0.54) AKR1B1HTR2AHTR2CALOX15ATM
SCHEMBL935857 0.78 AKR1B1 (0.38) AKR1B1ARPGR
SCHEMBL12312873 0.78 PGK1 (0.47) ALOX15ATM
SCHEMBL21663984 0.77 ALOX15 (0.43) ALOX15ATM
SCHEMBL935080 0.75 PGK1 (0.47) ALOX15ATM
SCHEMBL21688901 0.75 ALOX15 (0.39) ALOX15ATM
SCHEMBL9796864 0.73 PSMB8 (0.44)
SCHEMBL5683354 0.72 CYP3A4 (0.49) HTR2AHTR2CALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454329-B1 FLUORESCENT DYES AND USES THEREOF BECKMAN COULTER INC (US) 2018-04-18 EP disclosed
EP-2454329-B1 FLUORESCENT DYES AND USES THEREOF BECKMAN COULTER INC (US) 2018-04-18 EP disclosed
US-8772501-B2 Fluorescent dyes and uses thereof BECKMAN COULTER, INC. (US) 2014-07-08 US disclosed
US-8772501-B2 Fluorescent dyes and uses thereof BECKMAN COULTER, INC. (US) 2014-07-08 US disclosed
US-20130131324-A1 Novel Fluorescent Dyes and Uses Thereof BECKMAN COULTER, INC. (US) 2013-05-23 US disclosed
US-20130131324-A1 Novel Fluorescent Dyes and Uses Thereof BECKMAN COULTER, INC. (US) 2013-05-23 US disclosed
US-8367842-B2 Fluorescent dyes and uses thereof BECKMAN COULTER, INC. (US) 2013-02-05 US disclosed
US-8367842-B2 Fluorescent dyes and uses thereof BECKMAN COULTER, INC. (US) 2013-02-05 US disclosed
EP-2454329-A1 NOVEL FLUORESCENT DYES AND USES THEREOF Beckman Coulter, Inc. (US) 2012-05-23 EP disclosed
WO-2011008912-A1 NOVEL FLUORESCENT DYES AND USES THEREOF BECKMAN COULTER, INC. (US) 2011-01-20 WO disclosed
US-20110014599-A1 Novel Fluorescent Dyes and Uses Thereof BECKMAN COULTER, INC. (US) 2011-01-20 US disclosed
US-20110014599-A1 Novel Fluorescent Dyes and Uses Thereof BECKMAN COULTER, INC. (US) 2011-01-20 US disclosed
WO-2011008912-A1 NOVEL FLUORESCENT DYES AND USES THEREOF BECKMAN COULTER, INC. (US) 2011-01-20 WO 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-20130131324-A1 Novel Fluorescent Dyes and Uses Thereof GUSB, CHLSN, NQO1 CTSS 642/4885CTSK 858/4885AKR1B1 1569/4885
US-20110014599-A1 Novel Fluorescent Dyes and Uses Thereof GUSB, CHLSN, NQO1 CTSS 642/4885CTSK 858/4885AKR1B1 1569/4885

“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.