SCHEMBL4867699

SCHEMBL4867699

O=c1[nH]c(C(F)(F)F)c(Br)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GLA P06280 3/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PIM1 P11309 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL30896270 0.80 KDM4E (0.41) ENPP3ENPP1KDM4EALDH1A1GLA
SCHEMBL1929372 0.77 NOTUM (0.41) ENPP3ENPP1KDM4EALDH1A1GAA
SCHEMBL4668796 0.73 SOS1 (0.49) KDM4EALDH1A1GLAGAAHSD17B1
SCHEMBL25426756 0.70 ENPP3 (0.42) ENPP3ENPP1ALDH1A1HPGDPDE3B
SCHEMBL19207400 0.66 GRIN2D (0.56) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL13249225 0.65 PDE3B (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL24970984 0.65 KDM4E (0.44) KDM4EHSD17B10
SCHEMBL31142933 0.65 KDM4E (0.44) KDM4EHSD17B10
SCHEMBL7909779 0.64 ALDH1A1 (0.44) ALDH1A1GLAHPGDHSD17B10
SCHEMBL30152747 0.63 NOTUM (0.51) KDM4EALDH1A1GLAGAAPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 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 (1 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 ENPP3 251/4885ENPP1 698/4885KDM4E 497/4885

“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.