SCHEMBL642464

SCHEMBL642464

CC[C@@](O)(CCBr)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 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
SCHEMBL28957165 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL10029115 0.80
SCHEMBL6912305 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL380063 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL283370 0.79
SCHEMBL28287867 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL355955 0.76 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL31386549 0.76 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL381230 0.76 TDP1 (0.44) ALDH1A1KMT2AMEN1TSHR
SCHEMBL9751561 0.76 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1CYP1A2THRB

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 ALDH1A1 2646/4885KMT2A 3337/4885MEN1 2187/4885

“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.