SCHEMBL5496898

SCHEMBL5496898

Cc1ccc(C(=O)C(=O)O)c(F)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
HPGD P15428 1/20 0.37
HTT P42858 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ALDH1A1 P00352 4/20 0.36
BCHE P06276 1/20 0.34
GFER P55789 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ADRA2A P08913 1/20 0.31
CLCN2 P51788 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 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
SCHEMBL31225023 0.85 KDM4E (0.40) HPGDHTTALDH1A1ADRA2ACLCN2
SCHEMBL1671271 0.85 KDM4E (0.40) HPGDHTTALDH1A1ADRA2ACLCN2
SCHEMBL19641886 0.82 HPGD (0.35) HPGDHTTHDAC1HDAC6ADRA2A
SCHEMBL31691251 0.76 NPC1 (0.42) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL19641657 0.74 HPGD (0.34) HPGDHTTHDAC1HDAC6NPC1
SCHEMBL17845906 0.73 HPGD (0.42) HPGDHTTHDAC1HDAC6ALDH1A1
SCHEMBL8214374 0.73 HPGD (0.47) HPGDALDH1A1POLBCYP2C19NPC1
SCHEMBL31225054 0.73 MLYCD (0.38) HPGDHTTRAB9AKMT2AMEN1
SCHEMBL20855275 0.70 HTT (0.38) HTTHDAC1HDAC6ALDH1A1NPC1
SCHEMBL5488770 0.70 HPGD (0.49) HPGDALDH1A1POLBCYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 CES2 1820/4885CES1 1186/4885HPGD 909/4885

“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.