SCHEMBL311233

SCHEMBL311233

CC(F)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ACHE P22303 1/20 0.58
SRD5A2 P31213 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
LMNA P02545 2/20 0.50
P2RX1 P51575 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 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
SCHEMBL10819628 0.88 CES2 (0.65) CES2NPSR1ACHESRD5A2MEN1
SCHEMBL28435533 0.86 CES2 (0.67) CES2NPSR1ACHESRD5A2MEN1
SCHEMBL786699 0.85 CES2 (0.61) CES2NPSR1ACHESRD5A2MEN1
SCHEMBL19865862 0.85 CES2 (0.61) CES2NPSR1ACHESRD5A2MEN1
SCHEMBL27873040 0.83 CES2 (0.62) CES2NPSR1ACHESRD5A2MEN1
SCHEMBL27627736 0.83 CES2 (0.62) CES2NPSR1ACHESRD5A2MEN1
SCHEMBL27243759 0.82 CES2 (0.71) CES2NPSR1ACHESRD5A2MEN1
SCHEMBL16160046 0.81 CES2 (0.56) CES2NPSR1ACHESRD5A2MEN1
SCHEMBL17483864 0.81 CES2 (0.64) CES2NPSR1ACHESRD5A2MEN1
SCHEMBL28669423 0.81 CES2 (0.65) CES2NPSR1ACHESRD5A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 CN disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 CN disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
CN-1326457-A 4-aminopyrrolopyrimidines as kinase inhibitors BASF AG (DE) 2001-12-12 CN 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 CES2 3644/4885NPSR1 1984/4885ACHE 4777/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 CES2 3644/4885NPSR1 1984/4885ACHE 4777/4885

“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.