SCHEMBL642463

SCHEMBL642463

CCC(Br)C[C@@H](O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.40
OR51E2 Q9H255 1/20 0.40
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TET2 Q6N021 5/20 0.36
KDM4A O75164 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
TET3 O43151 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL7376003 0.76 NAALAD2 (0.43) SLC1A3SLC1A2SLC1A1ALDH1A1THRB
SCHEMBL8658630 0.75 OR51E2 (0.43) GPR84OR51E2FFAR1SMN1; SMN2TET2
SCHEMBL7525494 0.74
SCHEMBL15717118 0.73 OR51E2 (0.53) GPR84OR51E2FFAR1SMN1; SMN2TET2
SCHEMBL6963 0.73
SCHEMBL193026 0.73
SCHEMBL264859 0.73
SCHEMBL15355768 0.73
SCHEMBL14661739 0.73 OR51E2 (0.42) GPR84OR51E2FFAR1SMN1; SMN2TET2
SCHEMBL14661746 0.73 OR51E2 (0.42) GPR84OR51E2FFAR1SMN1; SMN2TET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119673-B2 Compounds 148 ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors ASTRAZENECA AB (SE) 2011-06-02 US disclosed
EP-2321301-A1 NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2011-05-18 EP 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-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors TFPI, TFPI2, SPINT2 GPR84 1877/4885OR51E2 4484/4885FFAR1 2709/4885

“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.