SCHEMBL935857

SCHEMBL935857

N#Cc1nc2cc(C(F)(F)F)c(O)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
HSD17B10 Q99714 3/20 0.35
AR P10275 6/20 0.35
NTSR1 P30989 1/20 0.33
VCP P55072 1/20 0.33
PSMB8 P28062 2/20 0.33
PGR P06401 1/20 0.32
MEN1 O00255 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 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
SCHEMBL1046655 0.80 PSMB8 (0.35) ARPSMB8
SCHEMBL935523 0.78 CTSS (0.40) AKR1B1ARPGR
SCHEMBL31694405 0.76 PSMB8 (0.35) HSD17B10PSMB8MEN1KMT2A
SCHEMBL31215702 0.76 PSMB8 (0.35) ARPSMB8
SCHEMBL12908846 0.76 GAA (0.42) HSD17B10PSMB8RAB9ASMN1; SMN2HPGD
SCHEMBL9796864 0.76 PSMB8 (0.44) HSD17B10PSMB8MEN1RAB9AKMT2A
SCHEMBL935534 0.73 PSMB8 (0.45) HSD17B10PSMB8HPGD
SCHEMBL140656 0.69 HTT (0.56) AR
SCHEMBL29409281 0.69 HTT (0.56) AR
SCHEMBL8054530 0.69 DYRK1A (0.50) VCPPSMB8RAB9ANPC1

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
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

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 AKR1B1 1569/4885HSD17B10 1162/4885AR 4323/4885
US-20110014599-A1 Novel Fluorescent Dyes and Uses Thereof GUSB, CHLSN, NQO1 AKR1B1 1569/4885HSD17B10 1162/4885AR 4323/4885

“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.