SCHEMBL311471

SCHEMBL311471

CC(Br)C(=O)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.45
CES2 O00748 2/20 0.45
GSK3B P49841 1/20 0.45
GAA P10253 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
DDR1 Q08345 1/20 0.39
MDM2 Q00987 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CFTR P13569 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL12780275 0.87 PDE2A (0.47) PDE2ACES2GSK3BGAAAKR1C3
SCHEMBL14054398 0.82 GSK3B (0.50) PDE2ACES2GSK3BGAAKDM4E
SCHEMBL5744377 0.80 CES2 (0.57) CES2MDM2
SCHEMBL7532012 0.79 PDE2A (0.51) PDE2ACES2GSK3BGAAKDM4E
SCHEMBL29786688 0.78 CES2 (0.52) PDE2ACES2GAADDR1KDM4E
SCHEMBL2073688 0.78 CES2 (0.52) PDE2ACES2GAADDR1KDM4E
SCHEMBL2302131 0.76 CES2 (0.47) PDE2ACES2GAAAKR1C3AKR1C2
SCHEMBL12516836 0.76 NPSR1 (0.57) PDE2ACES2DDR1TMPRSS4TRPV1
SCHEMBL15745421 0.76 CES2 (0.50) PDE2ACES2GAADDR1KDM4E
SCHEMBL43771 0.75 ALDH1A1 (0.59) CES2KDM4EALDH1A1HPGDHSD17B10

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 14 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
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US 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-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US 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
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US 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
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 PDE2A 3489/4885CES2 3644/4885GSK3B 546/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 PDE2A 3489/4885CES2 3644/4885GSK3B 546/4885

“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.